SCHEMBL13601642

SCHEMBL13601642

Cc1cc(C(=O)O)cc(C)c1-c1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.50
CNR2 P34972 1/20 0.49
TTR P02766 2/20 0.47
ALDH1A1 P00352 1/20 0.43
TPMT P51580 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
PTGER2 P43116 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA1 P30542 1/20 0.37
HDAC2 Q92769 1/20 0.37
MYC P01106 1/20 0.37

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
SCHEMBL13601634 0.80 ADH5 (0.49) P2RY14CNR2ALDH1A1MYCESR1
SCHEMBL27624039 0.80 P2RY14 (0.52) P2RY14CNR2ADORA3ADORA2AADORA2B
SCHEMBL8442653 0.78 P2RY14 (0.58) P2RY14CNR2ADORA3ADORA2AADORA2B
SCHEMBL13601575 0.76 TTR (0.59) P2RY14TTRALDH1A1TPMTMYC
SCHEMBL8047467 0.74 TPMT (0.59) CNR2TTRALDH1A1TPMTMYC
SCHEMBL31658247 0.74 TTR (0.53) CNR2TTRTPMTRXRARXRB
SCHEMBL2039273 0.72 BCL2L1 (0.52) P2RY14CNR2PTGER2RXRARXRB
SCHEMBL2724007 0.71 P2RY14 (0.52) P2RY14CNR2ALDH1A1BRD4BRD2
Ethylene SCHEMBL10831593 0.71 TPMT (0.54) CNR2TTRALDH1A1TPMTMYC
SCHEMBL419097 0.70 KMO (0.61) P2RY14CNR2RXRARXRBHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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 (1 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 P2RY14 1055/4885CNR2 214/4885TTR 2102/4885

“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.