SCHEMBL873728

SCHEMBL873728

CCCc1ccncc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.49
CYP2C8 P10632 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2A6 P11509 4/20 0.49
CYP2B6 P20813 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
AOC1 P19801 5/20 0.42
AOC3 Q16853 5/20 0.42
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.35
LATS1 O95835 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL18924363 0.88 TDP1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL13261338 0.84 TDP1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL17772009 0.83 CYP2E1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL10954433 0.82 CYP2E1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL214076 0.82
SCHEMBL14945019 0.81 TAAR1 (0.52) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL6628774 0.81 TKT (0.39) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL21983945 0.79 TAAR1 (0.50) TRPA1
SCHEMBL8271491 0.78 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Iodomethane SCHEMBL11651462 0.78 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
CN-103154044-B Process for producing polydienes BRIDGESTONE CO.,LTD. (JP) 2016-02-17 CN claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2012092547-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012092551-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives BINDER, EVA (AT) 2010-03-25 US disclosed
US-4161598-A ANALGESICS, NARCOTIC ANTAGONISTS STERLING DRUG INC. (US) 1979-07-17 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 (6 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-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives FFAR3, FFAR2, FFAR1 CYP2E1 91/4885CYP2C8 320/4885CYP2D6 98/4885
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 CYP2E1 309/4885CYP2C8 423/4885CYP2D6 363/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 CYP2E1 309/4885CYP2C8 423/4885CYP2D6 363/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C CYP2E1 1219/4885CYP2C8 1607/4885CYP2D6 571/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 CYP2E1 863/4885CYP2C8 950/4885CYP2D6 760/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C CYP2E1 1219/4885CYP2C8 1607/4885CYP2D6 571/4885

“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.