SCHEMBL700800

SCHEMBL700800

CCCn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.69
CCR2 P41597 4/20 0.65
MCL1 Q07820 4/20 0.63
DAO P14920 1/20 0.56
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
PLA2G4A P47712 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 1/20 0.48

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
SCHEMBL10757133 0.91 ALDH1A1 (0.66) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL6682164 0.89 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL10762525 0.88 ALDH1A1 (0.63) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL8242370 0.88 ALDH1A1 (0.63) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL701976 0.87 CCR2 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL30067600 0.87 CCR2 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL13701158 0.87 CCR2 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL5254835 0.85 CCR2 (0.67) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL13742238 0.84 ALDH1A1 (0.65) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL20142238 0.84 ALDH1A1 (0.65) ALDH1A1CYP1A2POLBCCR2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011332-B Pyrazole compounds as CRTH2 antagonists GB007公司 2020-03-13 CN disclosed
EP-2668181-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-11-05 EP disclosed
US-8759386-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2668181-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101043-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-5385919-A Antidiabetic agents RECKITT & COLMAN PRODUCTS LIMITED (GB) 1995-01-31 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 (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-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 ALDH1A1 1810/4885CYP1A2 283/4885POLB 4415/4885
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT ALDH1A1 586/4885CYP1A2 950/4885POLB 3509/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 ALDH1A1 2808/4885CYP1A2 461/4885POLB 1543/4885

“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.