SCHEMBL1012980

SCHEMBL1012980

COc1cc2c(cc1Br)CCC(=O)O2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
BRAF P15056 1/20 0.37
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL10746850 0.86 ALDH2 (0.46) ALDH2ALDH3A1BRAFCYP3A4
SCHEMBL15354652 0.82 ALDH2 (0.50) ALDH2ALDH3A1BRAF
SCHEMBL3302778 0.77 ACHE (0.45) ALDH2ALDH3A1
SCHEMBL1014266 0.75 SLC6A4 (0.40) HTR2CHTR2BALDH2ALDH3A1
SCHEMBL1013631 0.75 ALDH2 (0.42) HTR2AHTR2CHTR2BALDH2ALDH3A1
SCHEMBL26654718 0.75 HTR2A (0.50) HTR2AHTR2CHTR2BGRIN2DGRIN3B
SCHEMBL30665872 0.75 HTR2A (0.50) HTR2AHTR2CHTR2BGRIN2DGRIN3B
SCHEMBL1561740 0.73 HTR2A (0.51) HTR2AHTR2CHTR2BGRIN2DGRIN3B
SCHEMBL14192627 0.72 ALDH2 (0.51) ALDH2ALDH3A1TSHR
SCHEMBL5861959 0.70 CA2 (0.54) BRAF

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 HTR2A 1536/4885HTR2C 2418/4885HTR2B 1130/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B HTR2A 1536/4885HTR2C 2418/4885HTR2B 1130/4885

“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.