SCHEMBL8290989

SCHEMBL8290989

CCO[PH](=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CMA1 P23946 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
KEAP1 Q14145 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7192279 0.89 ADRA1A (0.42) SMN1; SMN2HTR2AMAOBL3MBTL1
SCHEMBL7429664 0.87 MAOB (0.44) HTR2AMAOAMAOBMAPTL3MBTL1
SCHEMBL29282941 0.83 CYP1A2 (0.45) TAAR1CYP2A6ALDH1A1MAPTL3MBTL1
SCHEMBL28596361 0.82 TSHR (0.43) TAAR1SMN1; SMN2CYP2A6HTR2ALOXL2
SCHEMBL6030733 0.82 CA1 (0.44) TAAR1SMN1; SMN2CYP2A6HTR2ALOXL2
SCHEMBL563886 0.80 TP53 (0.41) TAAR1SMN1; SMN2CYP2A6HTR2ALOXL2
SCHEMBL8835472 0.80 CMA1 (0.42) TAAR1SMN1; SMN2CYP2A6HTR2ALOXL2
SCHEMBL3821408 0.80 CYP1A2 (0.49) CYP2A6HTR2A
SCHEMBL8456049 0.79 ALDH1A1 (0.42) TAAR1SMN1; SMN2CYP2A6HTR2ALOXL2
SCHEMBL28608563 0.78 HTR1A (0.56) MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO 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 (3 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 TAAR1 1849/4885SMN1; SMN2 3201/4885CYP2A6 1090/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 TAAR1 1849/4885SMN1; SMN2 3201/4885CYP2A6 1090/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 TAAR1 1849/4885SMN1; SMN2 3201/4885CYP2A6 1090/4885

“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.