SCHEMBL1013631

SCHEMBL1013631

O=C1CCc2cc(Br)c(O)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33
GPR35 Q9HC97 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
EP300 Q09472 1/20 0.31
CYP1A1 P04798 1/20 0.31
HSP90AA1 P07900 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL11791192 0.85 ALDH2 (0.46) ALDH2ALDH3A1TSHRMAOBKDM4E
SCHEMBL13389081 0.79 ALDH2 (0.53) ALDH2ALDH3A1TSHRMAOBKDM4E
SCHEMBL14192627 0.76 ALDH2 (0.51) ALDH2ALDH3A1TSHRMAOBKDM4E
SCHEMBL2934063 0.76 ALDH2 (0.43) ALDH2ALDH3A1TSHRMAOBHSP90AA1
SCHEMBL1012980 0.75 HTR2A (0.46) ALDH2ALDH3A1TSHRHTR2AHTR2C
SCHEMBL3302778 0.75 ACHE (0.45) ALDH2ALDH3A1DRD2DRD1
SCHEMBL2933981 0.71 HSP90AA1 (0.38) ALDH2ALDH3A1HSP90AA1KDM4E
SCHEMBL8759192 0.70 MAOB (0.43) ALDH2ALDH3A1TSHRMAOB
SCHEMBL1013856 0.70 CA2 (0.50) ALDH2ALDH3A1MAOBHPGDHSD17B10
SCHEMBL29448284 0.70 CA2 (0.50) ALDH2ALDH3A1MAOBHPGDHSD17B10

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-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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 (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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B ALDH2 1064/4885ALDH3A1 679/4885TSHR 4126/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B ALDH2 1064/4885ALDH3A1 679/4885TSHR 4126/4885

“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.