SCHEMBL5828261

SCHEMBL5828261

O=Cc1ccc2cc(-c3cc(Br)c4c(c3)OCO4)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 1/20 0.35
CYP2A6 P11509 4/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GLO1 Q04760 1/20 0.34
AOC3 Q16853 1/20 0.33
MAPK1 P28482 1/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PIM3 Q86V86 1/20 0.31
BRSK1 Q8TDC3 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
PTPRC P08575 1/20 0.30
PLG P00747 1/20 0.30

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
SCHEMBL5828240 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1ERN1CYP2A6
SCHEMBL5828810 0.77 RARB (0.44) ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL5827711 0.76 PDCD1 (0.38) ALDH1A1CA12CA2CA9MAPK1
SCHEMBL5827840 0.76 ERN1 (0.42) ALDH1A1HSD17B10TDP1ERN1
SCHEMBL5828259 0.75 CYP2A6 (0.31) CYP2A6
SCHEMBL31009461 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1GLO1AOC3
SCHEMBL4330234 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1GLO1AOC3
SCHEMBL4033357 0.73 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1CYP2A6MAPK1
SCHEMBL5828129 0.72 SIRT2 (0.49) ALDH1A1HSD17B10SIRT1
SCHEMBL30132116 0.70 ALDH1A1 (0.63) ALDH1A1HSD17B10TDP1ERN1CA12

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
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR ALDH1A1 2952/4885HSD17B10 524/4885TDP1 4233/4885

“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.