SCHEMBL1106449

SCHEMBL1106449

COc1cc(F)cn(C(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
BRD4 O60885 1/20 0.34
PDE10A Q9Y233 5/20 0.34
MET P08581 3/20 0.33
AXL P30530 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL22252037 0.80 HDAC4 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22246174 0.80 BMPR1B (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1106492 0.80 BMPR1B (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22655330 0.79 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13886781 0.79 CYP3A4 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1106436 0.77 BRD4 (0.37) BRD4TDP1CREBBPALDH1A1KDM4E
SCHEMBL20811494 0.76 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10282151 0.76 POLB (0.42) BRD4CREBBPKDM4E
SCHEMBL1106462 0.76 BRD4 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL15159168 0.74 KDM4E (0.33) BRD4TDP1ALDH1A1KDM4E

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-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-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

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 BMPR1B 1819/4885BMPR1A 2761/4885TGFBR1 2363/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BMPR1B 1819/4885BMPR1A 2761/4885TGFBR1 2363/4885

“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.