SCHEMBL9973965

SCHEMBL9973965

CCc1noc(C)c1-c1ccccc1C(O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.47
CREBBP Q92793 6/20 0.47
ATM Q13315 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9283251 0.91 BRD4 (0.44) BRD4CREBBPATMPTGS1PTGS2
SCHEMBL9281041 0.80 BRD4 (0.41) BRD4CREBBPATMALDH1A1
SCHEMBL13263176 0.72 HEXA (0.50) BRD4ATMPTGS1PTGS2ALDH1A1
SCHEMBL4191435 0.67 GAA (0.53) BRD4ATMALDH1A1
SCHEMBL9973964 0.66 ERN1 (0.39) BRD4PTGS1PTGS2ALDH1A1
SCHEMBL16303813 0.64 BRD4 (0.38) BRD4ATM
SCHEMBL9281485 0.64 MAPT (0.43) BRD4ATMGPBAR1ALDH1A1
Alcohol SCHEMBL10905333 0.64 CA1 (0.49) BRD4ATMALDH1A1
SCHEMBL4082510 0.63 TSHR (0.58) BRD4ATMALDH1A1
SCHEMBL30986710 0.63 TSHR (0.58) BRD4ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522920-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-12-18 US disclosed
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-21 US 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-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885CREBBP 26/4885ATM 2477/4885
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885CREBBP 26/4885ATM 2477/4885

“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.