SCHEMBL6317175

SCHEMBL6317175

COc1ccc([C@@H]2[C@H](C(=O)O)C2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
MAPT P10636 2/20 0.46
SLC9A1 P19634 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL6317160 1.00 EDNRA (0.47) EDNRAEDNRBMAPTSLC9A1CA1
SCHEMBL6317044 1.00 EDNRA (0.47) EDNRAEDNRBMAPTSLC9A1CA1
Hydrochloric Acid SCHEMBL11394887 0.98 EDNRA (0.46) EDNRAEDNRBMAPTSLC9A1CA1
SCHEMBL11394880 0.85 MAPT (0.45) EDNRAEDNRBMAPTSLC9A1CA1
SCHEMBL18146719 0.81 MAPT (0.62) EDNRAEDNRBMAPTCA1CA2
SCHEMBL18146721 0.81 MAPT (0.62) EDNRAEDNRBMAPTCA1CA2
SCHEMBL18146718 0.81 MAPT (0.62) EDNRAEDNRBMAPTCA1CA2
SCHEMBL3287370 0.81 SLC9A1 (0.67) SLC9A1CES2CES1GAAKMT2A
SCHEMBL3658497 0.81 SLC9A1 (0.67) SLC9A1CES2CES1GAAKMT2A
SCHEMBL3287381 0.81 SLC9A1 (0.67) SLC9A1CES2CES1GAAKMT2A

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-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 EDNRA 276/4885EDNRB 353/4885MAPT 4499/4885

“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.