SCHEMBL23558494

SCHEMBL23558494

CCC1(CC)CC(=O)c2cc(C3=NC(c4ccc(OO)cc4)=NC3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 16/20 0.39
▸ ALDH1A1 P00352 16/20 0.39
▸ GAA P10253 12/20 0.39
▸ HPGD P15428 11/20 0.39
▸ GLA P06280 9/20 0.39
▸ CASP1 P29466 6/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KLK7 P49862 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL25863774 0.90 MAPT (0.42) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25856818 0.88 ATM (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25856710 0.86 CNR1 (0.36) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25856799 0.80 KDM4E (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25863238 0.70 CXCR1 (0.40) ALDH1A1HPGDSMN1; SMN2CNR1CNR2
SCHEMBL25856813 0.69 EPHX2 (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25857451 0.69 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23524290 0.69 MAPT (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30355741 0.69 MAPT (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL25856722 0.68 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (2 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 KDM4E 2644/4885ALDH1A1 2583/4885GAA 3859/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885GAA 3859/4885

“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.

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