SCHEMBL3031192

SCHEMBL3031192

O=C(c1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NPC1 O15118 1/20 0.53
SRD5A2 P31213 1/20 0.49
EPHX2 P34913 2/20 0.49
TRPV1 Q8NER1 3/20 0.47
CCR9 P51686 1/20 0.46
VNN1 O95497 1/20 0.46
FAAH O00519 1/20 0.45
TLR7 Q9NYK1 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 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
SCHEMBL4475347 0.90 NPC1 (0.60) RAB9AMAPTNPC1EPHX2TRPV1
Hydrochloric Acid SCHEMBL3539826 0.88 NPC1 (0.58) RAB9ANPC1EPHX2TRPV1VNN1
SCHEMBL532755 0.86 TP53 (0.47) RAB9ALMNAMEN1MAPTMAPK1
SCHEMBL220074 0.84 MAPT (0.47) MEN1MAPTKMT2AEPHX2
SCHEMBL4602009 0.83 ELANE (0.56) RAB9ANPC1SRD5A2EPHX2FAAH
SCHEMBL22721360 0.83 EPHX2 (0.62) RAB9ANPC1SRD5A2EPHX2TRPV1
SCHEMBL7929195 0.83 NPC1 (0.54) RAB9ANPC1EPHX2TRPV1VNN1
SCHEMBL5541822 0.83 ESR1 (0.58) RAB9ALMNAMAPTMAPK1NPC1
SCHEMBL30056405 0.82 MAPT (0.45) MEN1MAPTKMT2AEPHX2
SCHEMBL7469958 0.82 MAPT (0.45) MEN1MAPTKMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025041625-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
WO-2025028365-A1 PHOTOCHROMIC COMPOUND, PHENOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2025-02-06 WO disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 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 (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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 RAB9A 981/4885LMNA 3012/4885MEN1 2076/4885

“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.