SCHEMBL3751327

SCHEMBL3751327

CCC/C=C1/OC(=O)c2c(O)cccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.62
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 2/20 0.45
MAOA P21397 2/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 4/20 0.40
CTSG P08311 4/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11967649 1.00 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL29466168 1.00 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3751329 1.00 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL17552282 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3763236 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3763234 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL30493730 0.80 TRPA1 (0.52) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL9145106 0.79 MAOA (0.47) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL9145121 0.79 MAOA (0.47) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL29466170 0.77 TRPA1 (0.46) TRPA1ALDH1A1MAPK1TSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP claimed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO claimed
CN-113791154-A Method for identifying chemical components in Xuebijing injection 天津中医药大学 2021-12-14 CN disclosed
US-10987389-B2 Anti-tumor traditional Chinese medicine microbial fermentation preparation and a preparation method and application thereof LI XINGYAO (CN) 2021-04-27 US disclosed
CN-112168890-A Formula and preparation method of quick-acting rescue crude drug for rescuing diseased and dangerous fishes 王虎 2021-01-05 CN disclosed
CN-110179855-A A kind of therapeutic agent and its formulation preparation method of post-natal depression 湘潭大学 2019-08-30 CN disclosed
CN-110150470-A Chinese herb residues deposit the feed and preparation and feeding method of functional mass into mutton 吉林农业大学 2019-08-23 CN disclosed
CN-109350657-A A kind of composition that treating rheumatism, preparation method and applications 林争鸣 2019-02-19 CN disclosed
CN-107854400-A A kind of submissive type hair-washing composition of anti-dandruff and itching-relieving 甘龙实业(上海)有限公司 2018-03-30 CN disclosed
CN-107853517-A A kind of antifatigue Chinese medicinal drink and preparation method thereof of refreshing oneself 辽宁中医药大学 2018-03-30 CN disclosed
US-20170165307-A1 Anti-tumor Traditional Chinese Medicine Microbial Fermentation Preparation And A Preparation Method And Application Thereof LI XINGYAO (CN) 2017-06-15 US disclosed
CN-104906322-A Medicine composition for treating gastritis FOSHAN LANGDA INFORMATION TECHNOLOGY CO LTD 2015-09-16 CN disclosed
CN-103230472-A Comprehensive treatment Chinese patent medicine of internal and external application for treating diabetes mellitus KONG DEZHONG 2013-08-07 CN disclosed
EP-2508191-A1 Combination therapy for treatment of patients with neurological disorders and cerebral infarction Moleac Pte Ltd. (SG) 2012-10-10 EP disclosed
US-20100298427-A1 Anti-inflammatory compositions and their use DSM IP ASSETS B.V. (NL) 2010-11-25 US disclosed
US-20090176873-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2009-07-09 US disclosed
US-20090162459-A1 Combination Therapy for Treatment of Patients with Neurological Disorders and Cerebral Infarction MOLEAC PTE. LTD (SG) 2009-06-25 US disclosed
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP disclosed
WO-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO 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 (2 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-20090176873-A1 NOVEL USE OF ORGANIC COMPOUNDS F12, F13B, COL1A1 TRPA1 309/4885ALDH1A1 703/4885MAPK1 315/4885
US-20100298427-A1 Anti-inflammatory compositions and their use COL1A1, COL2A1, F12 TRPA1 729/4885ALDH1A1 1063/4885MAPK1 190/4885

“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.