SCHEMBL25868614

SCHEMBL25868614

CCc1cc(OC)cc(C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
PABPC1 P11940 1/20 0.33
PSMD14 O00487 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25946859 0.82 ALDH1A1 (0.48) CYP3A4HPGDCA1CA2FFAR4
SCHEMBL12925519 0.76 CYP3A4 (0.43) CYP3A4HPGDFFAR4ALDH1A1SMN1; SMN2
SCHEMBL25857635 0.75 CA1 (0.55) CYP3A4HPGDCA1CA2FFAR4
SCHEMBL10044449 0.75 DHFR (0.43) CYP3A4HPGDFFAR4ALDH1A1ELANE
SCHEMBL10477447 0.73 CYP3A4 (0.41) CYP3A4HPGDFFAR4ALDH1A1ELANE
SCHEMBL25946862 0.73 TAAR1 (0.41) CYP3A4HPGDCA1CA2FFAR4
SCHEMBL16546632 0.73 CYP3A4 (0.49) CYP3A4HPGDCA1CA2FFAR4
SCHEMBL15180049 0.70 CA1 (0.50) CA1CA2ALDH1A1
SCHEMBL26710046 0.70 CA1 (0.37) CYP3A4HPGDCA1CA2ALDH1A1
SCHEMBL26712983 0.70 CA1 (0.46) CYP3A4HPGDCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP3A4 4104/4885HPGD 3374/4885CA1 3782/4885

“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.