SCHEMBL6539439

SCHEMBL6539439

C=C(c1ccccc1)c1cc(C(=O)O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CA6 P23280 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
PTGS2 P35354 2/20 0.52
CA4 P22748 2/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RARB P10826 1/20 0.50
RXRA P19793 1/20 0.50
ALOX5 P09917 1/20 0.46
NAPRT Q6XQN6 2/20 0.45
DAO P14920 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL10728975 0.87 MEN1 (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL5313573 0.86 HNF4A (0.53) CA12CA1CA2CA9KDM4E
SCHEMBL6539796 0.82 CA12 (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL9472920 0.81 KDM4E (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL1048685 0.79 CA1 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL6538691 0.79 CA12 (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL15882918 0.79 CA1 (0.71) CA12CA1CA2CA9KDM4E
SCHEMBL30268239 0.78 KDM4E (0.67) CA12CA1CA2CA9KDM4E
SCHEMBL330378 0.78 KDM4E (0.67) CA12CA1CA2CA9KDM4E
SCHEMBL7706125 0.78 ACMSD (0.49) CA12CA1CA2CA9KDM4E

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-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US disclosed
US-20040034080-A1 Method for producing 3,3-diarylpropylamines UCB PHARMA GMBH (DE) 2004-02-19 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-20040034080-A1 Method for producing 3,3-diarylpropylamines HNMT, CYP1A1, HRH3 CA12 2817/4885CA1 2036/4885CA2 2141/4885

“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.