SCHEMBL4431127

SCHEMBL4431127

CCC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
PTGER1 P34995 1/20 0.54
ABCB1 P08183 1/20 0.53
PARP1 P09874 1/20 0.53
BRD4 O60885 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL22498420 0.87 SGMS2 (0.56) SGMS2NPC1SMN1; SMN2HTTGAA
SCHEMBL7331106 0.86 NPC1 (0.51) SGMS2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL28862953 0.85 NPC1 (0.56) SGMS2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL28790534 0.85 FFAR4 (0.54) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL3679181 0.85 SGMS2 (0.60) SGMS2NPC1SMN1; SMN2HTTALDH1A1
SCHEMBL28256912 0.84 MAOB (0.65) NPC1RAB9AHPGDSMN1; SMN2HTT
SCHEMBL3944560 0.84 HTT (0.57) SGMS2NPC1SMN1; SMN2HTTALDH1A1
SCHEMBL2999130 0.83 SGMS2 (0.59) SGMS2NPC1SMN1; SMN2HTTALDH1A1
SCHEMBL19156329 0.83 SGMS2 (0.59) SGMS2NPC1SMN1; SMN2HTTALDH1A1
SCHEMBL6243854 0.83 NPC1 (0.64) SGMS2NPC1RAB9AHTTALDH1A1

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
CN-105061227-A Environment-friendly ritodrine hydrochloride production method GUANGDONG XIANQIANG PHARMACEUTICAL CO LTD 2015-11-18 CN claimed
CN-101239917-B Method for preparing ritodrine hydrochloride and intermediate thereof Suzhou lixin pharmaceutical co ltd 2011-05-04 CN claimed
CN-101239917-A Method for preparing ritodrine hydrochloride and intermediate thereof SUZHOU LIXIN PHARMACEUTICAL CO (CN) 2008-08-13 CN claimed
CN-107787321-B Novel5-HT2Antagonists 安娜玛有限公司 2021-10-01 CN disclosed
WO-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed
WO-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed
EP-3310762-B1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-08-05 EP disclosed
US-10544103-B2 5-HT2 antagonists ANAMAR AB (SE) 2020-01-28 US disclosed
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2018-06-07 US disclosed
EP-3310762-A1 NOVEL 5-HT2 ANTAGONISTS Anamar AB (SE) 2018-04-25 EP disclosed
CN-105037180-B Central analgesia noval chemical compound, the Preparation method and use of a kind of double action 安徽省逸欣铭医药科技有限公司 2017-10-10 CN disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
US-6268504-B1 USED IN THE PRODUCTION OF PHARMACEUTICAL PRODUCTS AMERICAN HOME PRODUCTS CORPORATION 2001-07-31 US disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
EP-0123254-B1 TRIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-22 EP disclosed
EP-0116787-B1 1,1-DIPHENYLPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Richter Gedeon Vegyészeti Gyár R.T. (HU) 1987-03-18 EP disclosed
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
US-4605785-A I(DUCE POLYSUBSTRATE MONOOXYGENASE ENZYME SYSTEM OF LIV)R WI HOUT GENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-08-12 US disclosed
EP-0116787-A1 1,1-Diphenylpropanol derivatives, process for their preparation and pharmaceutical compositions containing them Richter Gedeon Vegyészeti Gyár R.T. (HU) 1984-08-29 EP disclosed
US-4111936-A PYRIDAZINETHIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US 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-10544103-B2 5-HT2 antagonists HTR2B, HTR2C, HTR2A SGMS2 3533/4885NPC1 3658/4885RAB9A 2274/4885
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS HTR2B, TPH2, HTR2C SGMS2 3449/4885NPC1 3628/4885RAB9A 2314/4885

“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.