SCHEMBL1934052

SCHEMBL1934052

CCCCC(O)c1ccccc1C(=O)O.[KH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.46
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
PPARG P37231 2/20 0.42
ALOX15 P16050 1/20 0.42
CNR2 P34972 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1935639 0.98 KMT2A (0.50) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL23521275 0.98 KMT2A (0.50) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL29869129 0.98 KMT2A (0.50) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL23521291 0.98 KMT2A (0.50) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL29360777 0.98 KMT2A (0.50) KMT2AKDM4EMEN1RECQLALDH1A1
Potassium SCHEMBL31438078 0.97 KMT2A (0.49) KMT2AKDM4EMEN1RECQLALDH1A1
Ammonia Solution, Strong SCHEMBL29034511 0.97 KMT2A (0.49) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL3122937 0.97 KMT2A (0.49) KMT2AKDM4EMEN1RECQLALDH1A1
SCHEMBL5435365 0.97 KMT2A (0.49) KMT2AKDM4EMEN1RECQLALDH1A1
Tert-Butylamine SCHEMBL31072748 0.91 KMT2A (0.44) KMT2AKDM4EMEN1RECQLALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224300-A1 USE OF POTASSIUM 2-(a- HYDROXYPENTYL) BENZOATE IN THE MANUFACTURE OF MEDICAMENTS FOR PREVENTING AND/OR TREATING SENILE DEMENTIA INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF ME (CN) 2011-09-15 US claimed
EP-2332530-A1 THE USE OF POTASSIUM 2-( - HYDROXYPENTYL) BENZOATE IN THE MANUFACTURE OF MEDICAMENTS FOR PREVENTING AND/OR TREATING SENILE DEMENTIA INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2011-06-15 EP claimed
CN-115932126-A Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2023-04-07 CN disclosed
EP-3023410-B1 5-BROMINE-2-(alpha-HYDROXYPENTYL)BENZOIC ACID SODIUM SALTS IN DIFFERENT CRYSTAL FORMS, AND PREPARATION METHOD THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2022-02-23 EP disclosed
US-11148991-B2 5-bromo-2-(alpha-hydroxypentyl)benzoic acid sodium salts in different crystal forms, and preparation method thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-19 US disclosed
US-11149005-B2 Organic amine ester derivative drug of 2-(α-hydroxypentyl)benzoic acid YAOPHARMA CO., LTD. (CN) 2021-10-19 US disclosed
US-11028073-B2 Butylphthalide-telmisartan hybrids, preparation method and application thereof GUANGDONG LONGFU MEDICINE CO., LTD. (CN) 2021-06-08 US disclosed
CN-112608226-A Synthesis method of hydroxypentyl potassium benzoate D7 云南昊邦制药有限公司 2021-04-06 CN disclosed
US-20210002224-A1 ORGANIC AMINE ESTER DERIVATIVE DRUG OF 2-(alpha-HYDROXYPENTYL)BENZOIC ACID SICHUAN UNIVERSITY (CN) 2021-01-07 US disclosed
EP-3760610-A1 ORGANIC AMINE ESTER DERIVATIVE DRUG OF 2-(A-HYDROXYPENTYL)BENZOIC ACID Sichuan University (CN) 2021-01-06 EP disclosed
EP-3572404-B1 BUTYLPHTHALIDE-TELMISARTAN HETEROCOMPLEX, PREPARATION METHOD AND APPLICATION THEREOF GUANGDONG LONGFU MEDICINE CO LTD (CN) 2020-10-21 EP disclosed
EP-1508561-B1 2-(a-HYDROXYPENTYL) BENZOATE AND ITS PREPARATION AND USE INST OF MATERIA MEDICA OF CHIN (CN) 2009-09-23 EP disclosed
US-20090227809-A1 NEW 2-(ALPHA-HYDROXYPENTYL) BENZOATES, THEIR PREPARATIONS AND THEIR USES THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES. 2009-09-10 US disclosed
US-7550507-B2 2-(alpha-hydroxypentyl) benzoate and its preparation and use INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2009-06-23 US disclosed
US-20070203233-A1 NOVEL 2-(alpha-N-PENTANONYL)BENZOATES, THEIR PREPARATION AND USE TEAM ACADEMY OF PHARMACEUTICAL SCIENCE (CN) 2007-08-30 US disclosed
EP-1734031-A1 NOVEL 2-(ALPHA-N-PENTANONYL)BENZOETES, THEIR PREPARATION AND USE TEAM ACADEMY OF PHARMACEUTICAL SCIENCE (CN) 2006-12-20 EP disclosed
CN-1243541-C 2-(alpha-hydroxypentyl) benzoate and its preparing process and usage INST MATERIA MEDICA CAMS (CN) 2006-03-01 CN disclosed
US-20050288263-A1 dosage forms of benzoate salt such as sodium, calcium, or amine salts; cardioischemia, cerebroischemia and cardiac or cerebral arterial occlusion INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES, THE (CN) 2005-12-29 US disclosed
EP-1508561-A1 2-(a-HYDROXYPENTYL) BENZOATE AND ITS PREPARATION AND USE THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2005-02-23 EP disclosed
CN-1382682-A 2-(alpha-hydroxypentyl) benzoate and its preparing process and usage INST OF MEDICAL MATERIALS CHIN (CN) 2002-12-04 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11149005-B2 Organic amine ester derivative drug of 2-(α-hydroxypentyl)benzoic acid DBH, PARK7, SNCA KMT2A 2985/4885KDM4E 1984/4885MEN1 2600/4885
US-20110224300-A1 USE OF POTASSIUM 2-(a- HYDROXYPENTYL) BENZOATE IN THE MANUFACTURE OF MEDICAMENTS FOR PREVENTING AND/OR TREATING SENILE DEMENTIA BDNF, NGF, ACHE KMT2A 649/4885KDM4E 334/4885MEN1 2533/4885
US-20090227809-A1 NEW 2-(ALPHA-HYDROXYPENTYL) BENZOATES, THEIR PREPARATIONS AND THEIR USES HIF1AN, HAAO, HIF1A KMT2A 3476/4885KDM4E 2996/4885MEN1 4258/4885
US-20050288263-A1 dosage forms of benzoate salt such as sodium, calcium, or amine salts; cardioischemia, cerebroischemia and cardiac or cerebral arterial occlusion CA2, SLC8B1, HAO2 KMT2A 1581/4885KDM4E 1676/4885MEN1 3358/4885
US-11028073-B2 Butylphthalide-telmisartan hybrids, preparation method and application thereof AGT, AGTR1, ACE KMT2A 4711/4885KDM4E 4499/4885MEN1 1750/4885
US-11148991-B2 5-bromo-2-(alpha-hydroxypentyl)benzoic acid sodium salts in different crystal forms, and preparation method thereof GABRA5, NPY5R, SLC9A5 KMT2A 1286/4885KDM4E 921/4885MEN1 4214/4885
US-20070203233-A1 NOVEL 2-(alpha-N-PENTANONYL)BENZOATES, THEIR PREPARATION AND USE TBXA2R, TBXAS1, PFKP KMT2A 4657/4885KDM4E 3521/4885MEN1 2742/4885
US-20210002224-A1 ORGANIC AMINE ESTER DERIVATIVE DRUG OF 2-(alpha-HYDROXYPENTYL)BENZOIC ACID DBH, PARK7, SNCA KMT2A 2959/4885KDM4E 2063/4885MEN1 2560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.