SCHEMBL77498

SCHEMBL77498

Cc1ccc(C(=O)/C=C/c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 10/20 1.00
MAPT P10636 8/20 0.86
ALDH1A1 P00352 4/20 0.86
CYP3A4 P08684 2/20 0.86
HPGD P15428 2/20 0.86
MAOB P27338 7/20 0.75
TNFRSF1A P19438 2/20 0.75
LMNA P02545 2/20 0.75
PLIN1 O60240 1/20 0.75
BCHE P06276 1/20 0.75
ACHE P22303 1/20 0.75
RECQL P46063 1/20 0.75
PLIN5 Q00G26 1/20 0.75
ABHD5 Q8WTS1 1/20 0.75
MAOA P21397 4/20 0.72
RAB9A P51151 3/20 0.72
POLB P06746 2/20 0.72
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
HSPD1 P10809 2/20 0.71

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
SCHEMBL7193506 1.00 CYP1B1 (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL5753797 0.93 MAPT (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL6200952 0.93 MAPT (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL76030 0.93 MAPT (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
Pentane SCHEMBL28825197 0.91 CYP1B1 (0.82) CYP1B1MAPTALDH1A1CYP3A4HPGD
4,4'-Dimethylchalcone SCHEMBL979560 0.90 MAPT (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
4,4'-Dimethylchalcone SCHEMBL979559 0.90 MAPT (1.00) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL23789072 0.90 MAPT (0.87) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL10497980 0.90 CYP1B1 (0.81) CYP1B1MAPTALDH1A1CYP3A4HPGD
SCHEMBL11814876 0.90 CYP1B1 (0.81) CYP1B1MAPTALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233645-A Method for preparing tri-substituted cyclopentene by MBH/Wittig domino reaction of vinylon insertion 浙江大学 2020-06-05 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-114456086-B Synthesis method of beta-cyano ketone 哈尔滨理工大学 2024-10-01 CN disclosed
CN-118355090-A Boron-containing cyclic light-emitting compound and color conversion film containing same 日东电工株式会社 2024-07-16 CN disclosed
US-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders Smilebiotek Zhuhai Limited (CN) 2024-06-25 US disclosed
CN-115368268-B Method for efficiently preparing azo compound and application thereof 大连理工大学 2023-11-17 CN disclosed
WO-2023206835-A1 CROSS-LINKED NORBORNENE COPOLYMER/CARBON BLACK THREE-DIMENSIONAL NETWORK IMMOBILIZED BIMETALLIC COPPER/GOLD NANO-CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖北工程学院 2023-11-02 WO disclosed
WO-2023158976-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2023-08-24 WO disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 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 (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-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders MB, MYOC, PDE6A CYP1B1 4443/4885MAPT 2250/4885ALDH1A1 1091/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP1B1 3769/4885MAPT 2771/4885ALDH1A1 450/4885

“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.