SCHEMBL1106490

SCHEMBL1106490

Cc1cc(F)c(=O)n(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR Q13258 1/20 0.32
MAP3K5 Q99683 1/20 0.31
ATR Q13535 1/20 0.31

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) BRD4ALDH1A1KDM4ETDP1PTGDR2
SCHEMBL22246178 0.79 BMPR1B (0.37) BRD4ALDH1A1KDM4ETDP1POLB
SCHEMBL22246175 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1POLBMAPK1
SCHEMBL18760380 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ETDP1POLBMAPK1
SCHEMBL22425612 0.76 ALDH1A1 (0.31) ALDH1A1KDM4ETDP1POLBMAPK1
SCHEMBL1106489 0.76 TAAR1 (0.34) BRD4ALDH1A1KDM4ETDP1
SCHEMBL22246174 0.73 BMPR1B (0.40) TDP1
SCHEMBL1106462 0.72 BRD4 (0.41) BRD4ALDH1A1KDM4ETDP1POLB
SCHEMBL26169987 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ECYP2C9
SCHEMBL25075247 0.71

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 9 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-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-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 BRD4 4489/4885ALDH1A1 974/4885KDM4E 2875/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BRD4 4489/4885ALDH1A1 974/4885KDM4E 2875/4885

“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.