SCHEMBL10312581

SCHEMBL10312581

COc1cc(C)c(=O)n(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.39
BRD4 O60885 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
METAP2 P50579 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
ELANE P08246 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1106492 0.81 BMPR1B (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1106489 0.80 TAAR1 (0.34) BRD4
SCHEMBL22246178 0.76 BMPR1B (0.37) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL22252035 0.75 BMPR1B (0.36) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL22600101 0.75 BRD4 (0.47) BRD4CYP19A1NQO2THRB
SCHEMBL1106462 0.73 BRD4 (0.41) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16650238 0.73 BMPR1B (0.36) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL22246174 0.70 BMPR1B (0.40) CRHR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1106438 0.69 CA12 (0.39) BRD4PKMSMN1; SMN2
SCHEMBL22252037 0.67 HDAC4 (0.43) BRD4BMPR1BBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 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 (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-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CRHR1 3464/4885BRD4 4489/4885BMPR1B 1819/4885

“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.