SCHEMBL5828464

SCHEMBL5828464

COc1ccc(-c2ccc3cc(CI)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.64
RARG P13631 10/20 0.64
RARA P10276 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
NR1I2 O75469 1/20 0.64
PGR P06401 1/20 0.64
HSPD1 P10809 1/20 0.64
GOT1 P17174 1/20 0.64
GLRA1 P23415 1/20 0.64
BLM P54132 1/20 0.64
HSPE1 P61604 1/20 0.64
HDAC11 Q96DB2 3/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL29462719 0.88 RARB (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL979019 0.88 RARB (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL21746062 0.88 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL5827886 0.84 RARB (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL25253159 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL30510654 0.83 RARB (0.64) RARBRARGRARAMEN1KMT2A
SCHEMBL641031 0.83 RARB (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL13550931 0.83 RARB (0.69) RARBRARGRARAMEN1KMT2A
SCHEMBL29869357 0.83 RARB (0.69) RARBRARGRARAMEN1KMT2A
SCHEMBL30285966 0.82 RARB (0.59) RARBRARGRARAMEN1KMT2A

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 RARB 1465/4885RARG 1374/4885RARA 1460/4885

“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.