SCHEMBL677832

SCHEMBL677832

COc1ccc(C(C)Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
SLC2A1 P11166 1/20 0.47
ACHE P22303 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1295194 0.98 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL9425364 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL11737701 0.82 ALDH1A1 (0.38) TDP1ALDH1A1TSHRRAB9AMEN1
SCHEMBL119132 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1415320 0.81 ESR1 (0.38) TDP1CYP1A2CYP2D6CYP2C19HTT
SCHEMBL7955027 0.81 ABCB11 (0.61) TDP1L3MBTL1TSHRCYP1A2MAPT
SCHEMBL4348788 0.80 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL84040 0.79 RAB9A (0.62) CA1CA2CA7CA9CA12
SCHEMBL11949346 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL834546 0.79 CA1 (0.61) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210239-B Aromatic compound, organic semiconductor layer, and organic thin film transistor 东曹株式会社 2025-04-11 CN disclosed
CN-116194439-B SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2025-04-08 CN disclosed
CN-119212989-A Pyrazole derivatives as STING agonists 豪夫迈·罗氏有限公司 2024-12-27 CN disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
CN-116194439-A SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2023-05-30 CN disclosed
WO-2022221631-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS THE GEORGE WASHINGTON UNIVERSITY (US) 2022-10-20 WO disclosed
CN-115210239-A Aromatic compound, organic semiconductor layer and organic thin film transistor 东曹株式会社 2022-10-18 CN disclosed
CN-111777501-B Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
CN-1047673-A Anticonvulsants PFIZER (US) 1990-12-12 CN disclosed
EP-0250265-B1 2-PHENYLBENZOXEPIN DERIVATIVE SUNTORY LIMITED (JP) 1990-09-05 EP disclosed
CN-1041583-A MUSCARMIC RECEPTOR ANTAGONISTS PFIZER (US) 1990-04-25 CN disclosed
US-4845094-A HYPOGLYCEMIC, ANTICOAGULANT SUNTORY LIMITED (JP) 1989-07-04 US disclosed
EP-0320983-A2 Piperidinyl compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-21 EP disclosed
EP-0250265-A1 2-Phenylbenzoxepin derivative SUNTORY LIMITED (JP) 1987-12-23 EP disclosed
EP-0009227-B1 FLUORINATION PROCESS AND FLUORO ANALOGS OF HYDROCODONE AND OXYCODONE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-01 EP disclosed
EP-0009227-A1 Fluorination process and fluoro analogs of hydrocodone and oxycodone E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-02 EP 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-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS SMPD1, MLYCD, SMPD3 CA1 4822/4885CA2 3519/4885CA7 4226/4885

“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.