SCHEMBL5828071

SCHEMBL5828071

CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C=O)cn2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
RARA P10276 7/20 0.37
RARB P10826 6/20 0.37
RARG P13631 4/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL404472 0.89 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL8766824 0.86 RARA (0.41) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL6618810 0.84 HDAC11 (0.40) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL6618558 0.84 HDAC11 (0.42) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL8398381 0.83 RARB (0.37) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL399513 0.80 HDAC11 (0.47) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL6619613 0.80 RARB (0.39) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL5827849 0.79 HDAC11 (0.38) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL6621729 0.78 HDAC11 (0.39) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL8766851 0.78 S1PR1 (0.37) HDAC11HDAC2HDAC7HDAC8HDAC6

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 6 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
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US 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 (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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 HDAC11 14/4885HDAC2 46/4885HDAC7 50/4885
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR HDAC11 48/4885HDAC2 490/4885HDAC7 249/4885

“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.