SCHEMBL1477910

SCHEMBL1477910

O=C(O)C1(Cl)CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
FFAR3 O14843 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.34
AKR1C1 Q04828 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1421 1.00 CYP2C19 (0.42) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL11825341 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6913628 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6914795 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6917016 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6909889 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6917012 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6914957 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL11815475 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6915754 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861031-A Ester compound, preparation method and application thereof, and lubricating oil composition 中国石油化工股份有限公司 2021-12-31 CN claimed
CN-113862058-B Lubricating oil composition and preparation method thereof 中国石油化工股份有限公司(CN) 2023-01-13 CN disclosed
CN-113861032-A Ester compound, preparation method and application thereof, and lubricating oil composition 中国石油化工股份有限公司 2021-12-31 CN disclosed
CN-113862058-A Lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2021-12-31 CN disclosed
CN-113861031-A Ester compound, preparation method and application thereof, and lubricating oil composition 中国石油化工股份有限公司 2021-12-31 CN disclosed
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed
CN-110198937-A N- (5- morpholino thiazol-2-yl) Carbox amide and its preparation method and application 华东理工大学 2019-09-03 CN disclosed
US-7915266-B2 Promoting microtube polymerization; drug resistant cancer; 5-Azepan-1-yl-7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidine WYETH HOLDINGS CORPORATION (US) 2011-03-29 US disclosed
EP-1663241-B1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2009-05-27 EP disclosed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US disclosed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO disclosed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO disclosed
US-20050065167-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-03-24 US disclosed
US-4402981-A ANTIULCER AGENT KALI-CHEMIE PHARMA, GMBH (DE) 1983-09-06 US disclosed
US-4365032-A ANTIOXIDANTS FOR POLYMERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-12-21 US disclosed
US-4191770-A ANTIULCER AGENTS, ANTISECRETORY AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1980-03-04 US disclosed
US-4001218-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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-20050065167-A1 6-Aryl-7-halo-imidazo[1,2-a]pyrimidines as anticancer agents ABCC1, TUBB3, ABCB1 CYP2C19 4288/4885FFAR3 4088/4885SMN1; SMN2 1719/4885
US-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 CYP2C19 3473/4885FFAR3 4116/4885SMN1; SMN2 1367/4885

“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.