SCHEMBL12468637

SCHEMBL12468637

C=C(C)[C@@H](O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
LMNA P02545 5/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ADRA2C P18825 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2249346 1.00 HPGD (0.63) HPGDLMNAMAPK1CES2CES1
SCHEMBL13849535 1.00 HPGD (0.63) HPGDLMNAMAPK1CES2CES1
SCHEMBL8208706 0.84 TRPA1 (0.50) HPGDLMNAMAPK1KDM4EALDH1A1
Phenylethyl Alcohol SCHEMBL8206256 0.83 TDP1 (0.55) HPGDLMNAMAPK1ALDH1A1CYP3A4
SCHEMBL4882534 0.79 LMNA (0.56) HPGDLMNAMAPK1CES2CES1
SCHEMBL4525849 0.79 LMNA (0.56) HPGDLMNAMAPK1CES2CES1
SCHEMBL4104447 0.78 CYP3A4 (0.47) HPGDLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL2242532 0.78 CYP3A4 (0.47) HPGDLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL18419227 0.78 HPGD (1.00) HPGDLMNAMAPK1CES2CES1
SCHEMBL9806266 0.77 HPGD (0.48) HPGDLMNAKDM4EADRA2CADRA2A

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
EP-2627178-B1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2627178-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-08-21 EP disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 WO disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 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-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, NR3C2, HRH1 HPGD 290/4885LMNA 3867/4885MAPK1 894/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGD 19/4885LMNA 1347/4885MAPK1 1907/4885
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C HPGD 669/4885LMNA 2067/4885MAPK1 1331/4885

“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.