SCHEMBL7007855

SCHEMBL7007855

COc1cccc(BO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.50
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44

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
SCHEMBL28482210 0.82 ACHE (0.54) ACHECES2CES1ENPP2CA1
1,3-Dimethoxybenzene SCHEMBL2348353 0.81 ACHE (0.58) ACHECES2CES1ENPP2CA1
SCHEMBL12464036 0.80 ACHE (0.52) ACHECES2CES1ENPP2CA1
SCHEMBL28277390 0.78 ACHE (0.50) ACHECES2CES1ENPP2CA1
SCHEMBL23018998 0.78 TP53 (0.53) ALDH1A1CYP3A4LMNA
SCHEMBL17643580 0.77 MAPK1 (0.43) ALDH1A1LMNA
SCHEMBL23192517 0.77 CYP1A2 (0.54) ALDH1A1NPC1RAB9ALMNA
SCHEMBL5582461 0.77 ALDH1A1 (0.58) CA1CA2ALDH1A1CYP3A4NPC1
1,3-Dimethoxybenzene SCHEMBL27700724 0.76 ACHE (0.64) ACHECES2CES1ENPP2CA1
1,3-Dimethoxybenzene SCHEMBL9350 0.75 ACHE (0.70) ACHECES2CES1ENPP2CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 — — EP disclosed
EP-3013823-B1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2017-11-01 — — EP disclosed
WO-2017023988-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
US-8269317-B2 Phosphorescent materials UNIVERSAL DISPLAY CORPORATION (US) 2012-09-18 — — US disclosed
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 — — WO disclosed
US-20120119190-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-17 — — US disclosed
EP-1619177-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT FUJIFILM CORP (JP) 2008-02-27 — — 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-20120119190-A1 PHOSPHORESCENT MATERIALS RECQL, POLQ, IK ACHE 284/4885CES2 4582/4885CES1 4857/4885

“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.

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