SCHEMBL5828879

SCHEMBL5828879

COCOc1ccc(B(O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.44
IKBKB O14920 4/20 0.44
HIF1A Q16665 1/20 0.40
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR1 P21453 1/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL19639512 0.88 RARA (0.43) RARAIKBKBHIF1ARARBRARG
SCHEMBL404823 0.85 RARA (0.51) RARAHIF1ARARBRARGMEN1
SCHEMBL31482681 0.85 RARA (0.51) RARAHIF1ARARBRARGMEN1
SCHEMBL12309424 0.84 HIF1A (0.41) RARAIKBKBHIF1ARARBRARG
SCHEMBL23120117 0.81 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL30746817 0.81 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL22321021 0.81 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL5828039 0.80 RARA (0.44) RARAIKBKBHIF1ARARBRARG
SCHEMBL1914258 0.80 FAAH (0.45) RARAHIF1ARARBRARGMEN1
SCHEMBL12309932 0.79 HDAC11 (0.48) RARAIKBKBRARBRARGMEN1

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 RARA 1460/4885IKBKB 1056/4885HIF1A 2352/4885

“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.