SCHEMBL4493624

SCHEMBL4493624

CCOCOc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOB P27338 2/20 0.42
APP P05067 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
LTA4H P09960 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL8751807 0.88 NQO1 (0.63) NQO1KDM4EALDH1A1TDP1TSHR
SCHEMBL3631389 0.84 KDM4E (0.50) NQO1KDM4EALDH1A1MAOBDRD2
SCHEMBL18358 0.83 NQO1 (0.74) NQO1KDM4EALDH1A1MAOBAPP
SCHEMBL6059021 0.83 APP (0.50) KDM4EALDH1A1MAOBAPPDRD2
SCHEMBL23906784 0.81 LTA4H (0.58) NQO1TDP1TSHRMAPTLTA4H
SCHEMBL19256954 0.81 NQO1 (0.55) NQO1KDM4EALDH1A1TDP1TSHR
SCHEMBL9804312 0.81 NQO1 (0.70) NQO1KDM4EALDH1A1MAOBTDP1
SCHEMBL7928194 0.81 DRD4 (0.50) NQO1KDM4EALDH1A1DRD2DRD4
Ether SCHEMBL6687627 0.80 CYP2A6 (0.50) NQO1ALDH1A1MAPK1MAPTMMP14
SCHEMBL4064818 0.79 HRH2 (0.48) NQO1KDM4EALDH1A1MAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580171-A Oxetane trichloroacetimidate and preparation method and application thereof 中国科学技术大学 2024-09-03 CN disclosed
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 US disclosed
EP-1565433-B1 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2007-03-14 EP disclosed
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-10-20 US disclosed
EP-1565433-A2 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-08-24 EP disclosed
WO-2004046096-A2 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAF RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT,S.N.C. (FR) 2004-06-03 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-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA NQO1 487/4885KDM4E 3150/4885ALDH1A1 100/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA NQO1 473/4885KDM4E 3209/4885ALDH1A1 104/4885

“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.