SCHEMBL1106462

SCHEMBL1106462

Cc1cc(F)cn(C(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.38
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
CYP2C9 P11712 1/20 0.34
PTGDR Q13258 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1106436 0.82 BRD4 (0.37) BRD4CREBBPPTGDR2CYP2C9PTGDR
SCHEMBL22246178 0.79 BMPR1B (0.37) BRD4CREBBPBMPR1BBMPR1ATGFBR1
SCHEMBL15159168 0.78 KDM4E (0.33) BRD4PTGDR2CYP2C9PTGDRALDH1A1
SCHEMBL22252035 0.78 BMPR1B (0.36) BRD4CREBBPBMPR1BBMPR1ATGFBR1
SCHEMBL20811494 0.77 BMPR1B (0.38) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16650238 0.76 BMPR1B (0.36) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1106449 0.76 BMPR1B (0.39) BRD4CREBBPBMPR1BBMPR1ATGFBR1
SCHEMBL25745854 0.74 BMPR1B (0.38) BRD4CREBBPBMPR1BBMPR1ATGFBR1
SCHEMBL10312581 0.73 CRHR1 (0.39) BRD4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1155407 0.72 BRD4 (0.50) BRD4CREBBP

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 8 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-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
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BRD4 4489/4885CREBBP 4579/4885BMPR1B 1819/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BRD4 4489/4885CREBBP 4579/4885BMPR1B 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.