SCHEMBL14009484

SCHEMBL14009484

COC(=O)C(Br)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
ABCB11 O95342 2/20 0.43
THRB P10828 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2B6 P20813 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
P2RY12 Q9H244 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 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
SCHEMBL661387 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL1417549 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL4596673 0.94 KMT2A (0.42) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL11276948 0.87 KMT2A (0.50) KMT2AALDH1A1
SCHEMBL9535176 0.86 CXCL8 (0.46) ABCB11ALDH1A1
SCHEMBL5327049 0.83 CASP1 (0.56) CASP1CYP2C19KMT2AALDH1A1
SCHEMBL30296727 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL26620210 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL6487230 0.81 ALDH1A1 (0.56) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL30065589 0.80 NR3C2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655652-A New synthesis method of clopidogrel 宿迁盛基医药科技有限公司 2023-08-29 CN claimed
CN-112892204-B Automobile indoor VOC remover and preparation method thereof 烟台大学 2022-04-01 CN claimed
CN-112892204-A Automobile indoor VOC remover and preparation method thereof 烟台大学 2021-06-04 CN claimed
CN-108246099-B Automobile indoor VOC remover and preparation method thereof 烟台大学 2021-02-09 CN claimed
CN-1293080-C Process for the preparation of clopidogrel DIPHARMA SPA (IT) 2007-01-03 CN claimed
CN-1649877-A Process for the preparation of clopidogrel DIPHARMA SPA (IT) 2005-08-03 CN claimed
CN-110300744-B Compounds for optically active devices 爱尔兰眼力健公司 2023-09-15 CN disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
CN-116655652-A New synthesis method of clopidogrel 宿迁盛基医药科技有限公司 2023-08-29 CN disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
US-5260285-A Substituted imidazopyridazines as angiotensin II antagonists MERCK & CO., INC. (US) 1993-11-09 US disclosed
US-5250521-A Administering in treatment of eleuated blood pressure, conjestive heart failure and ocular hypertension MERCK & CO., INC. (US) 1993-10-05 US disclosed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0490587-A1 Substituted pyrazolopyrimidines and imidazopyridazines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-06-17 EP disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 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 (1 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-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D CASP1 2797/4885ABCB11 3968/4885THRB 4502/4885

“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.