SCHEMBL2877458

SCHEMBL2877458

COC(=O)CC=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.64
CYP4A11 Q02928 2/20 0.64
PAM P19021 1/20 0.63
MAOB P27338 4/20 0.57
MAOA P21397 3/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKT1 P31749 1/20 0.45
HDAC1 Q13547 3/20 0.44
HAO1 Q9UJM8 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
IDO1 P14902 1/20 0.44
TNKS O95271 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
SCHEMBL2877454 1.00 CYP4F2 (0.64) CYP4F2CYP4A11PAMMAOBMAOA
SCHEMBL13908714 0.96 CYP4F2 (0.65) CYP4F2CYP4A11PAMMAOBMAOA
Hydrazine SCHEMBL30778291 0.96 CYP4F2 (0.60) CYP4F2CYP4A11PAMMAOBMAOA
Nitrogen SCHEMBL29159384 0.96 CYP4F2 (0.60) CYP4F2CYP4A11PAMMAOBMAOA
SCHEMBL13908762 0.92 CYP4F2 (0.60) CYP4F2CYP4A11PAMMAOBMAOA
SCHEMBL11274669 0.88 CYP4F2 (0.51) CYP4F2CYP4A11PAMMAOBALDH1A1
SCHEMBL11274670 0.88 CYP4F2 (0.51) CYP4F2CYP4A11PAMMAOBALDH1A1
SCHEMBL10891880 0.84 PAM (0.61) CYP4F2CYP4A11PAMMAOBMAOA
SCHEMBL10891882 0.84 PAM (0.61) CYP4F2CYP4A11PAMMAOBMAOA
SCHEMBL8452840 0.83 PAM (0.66) CYP4F2CYP4A11PAMMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050006246-A1 Nitrogen atom transfer YUDIN ANDREI K (CA) 2005-01-13 US claimed
WO-2003010361-A2 NITROGEN ATOM TRANSFER YLEKTRA INC. (CA) 2003-02-06 WO claimed
CN-119638540-A Method for reducing alpha, beta-unsaturated ester, nitrile and amide 南开大学 2025-03-18 CN disclosed
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2024-09-12 US disclosed
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
CN-117603152-A Novel chiral binuclear rhodium complex and preparation method and application thereof 肇庆学院 2024-02-27 CN disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 EP disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 US disclosed
US-10975095-B2 2021-04-13 US disclosed
EP-3652178-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-05-20 EP disclosed
CN-100470366-C Polymeric composition and lithographic printing platemaking forebody FUJI PHOTO FILM CO LTD (JP) 2009-03-18 CN disclosed
CN-101149562-A Photosensitive composition, photosensitive film, permanent pattern forming method and printing circuit board FUJIFILM CORP (JP) 2008-03-26 CN disclosed
CN-101098697-A Compouns, compositions, processes of making, and methods of use related to inhibiting macrophage migration inhibitory factor CYTOKINE PHARMASCIENCES INC (US) 2008-01-02 CN disclosed
CN-1235089-C Photosensitive lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2006-01-04 CN disclosed
US-20050006246-A1 Nitrogen atom transfer YUDIN ANDREI K (CA) 2005-01-13 US disclosed
CN-1495524-A Polymeric composition and lithographic printing platemaking forebody 富士胶片株式会社 2004-05-12 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
WO-2003010361-A2 NITROGEN ATOM TRANSFER YLEKTRA INC. (CA) 2003-02-06 WO disclosed
CN-1355448-A Photosensitive lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-06-26 CN 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 (4 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-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885PAM 2261/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 CYP4F2 72/4885CYP4A11 17/4885PAM 3609/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885PAM 2261/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885PAM 2261/4885

“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.