SCHEMBL7220295

SCHEMBL7220295

CCCCCc1ccc(CCC(=O)O)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
PKM P14618 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 4/20 0.51
DDAH1 O94760 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CDC25A P30304 6/20 0.50
CDC25B P30305 6/20 0.50
CDC25C P30307 5/20 0.50
PPARA Q07869 3/20 0.50
HPGD P15428 3/20 0.47
PPARG P37231 3/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL25236336 0.98 EPHX2 (0.73) EPHX2ALDH1A1MAPTPKMHSD17B10
SCHEMBL8087417 0.91 EPHX2 (0.83) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL3506260 0.91 EPHX2 (0.83) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL14054041 0.91 EPHX2 (0.83) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL29236924 0.91 EPHX2 (0.83) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL2703694 0.91 EPHX2 (0.83) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL31240243 0.90 EPHX2 (0.81) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL29236858 0.90 EPHX2 (0.81) EPHX2ALDH1A1MAPTHSD17B10TDP1
SCHEMBL9116093 0.87 ALDH1A1 (0.56) EPHX2ALDH1A1MAPTPKMHSD17B10
SCHEMBL17491872 0.84 ALDH1A1 (0.66) EPHX2ALDH1A1MAPTPKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6590119-B2 Catalytic alcoholysis of benzoylcyclohexanone ketals; products useful as intermediates for diarylpyrrole therapeutic agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
US-20020107408-A1 Methods for the synthesis of dioxoalkanoic acid compounds FERRO MICHAEL P (US) 2002-08-08 US disclosed
US-6355812-B1 ALCOHOLYSIS OF BENZOYLCYCLOHEXANONE KETAL COMPOUNDS ORTH-MCNEIL PHARMACEUTICAL, INC. 2002-03-12 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-20020107408-A1 Methods for the synthesis of dioxoalkanoic acid compounds DCK, DDT, AOX1 EPHX2 287/4885ALDH1A1 281/4885MAPT 3509/4885

“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.