SCHEMBL25856971

SCHEMBL25856971

O=C1CC2(CCCC2)Oc2ccc(-c3cc(-c4cccnc4)no3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP2C9 P11712 7/20 0.41
▸ CYP2C19 P33261 7/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 6/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38

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
SCHEMBL23524104 0.85 NPC1 (0.50) KDM4EHTTATMALDH1A1HPGD
SCHEMBL30355691 0.85 NPC1 (0.50) KDM4EHTTATMALDH1A1HPGD
SCHEMBL30355673 0.84 NPC1 (0.49) KDM4EHTTATMALDH1A1HPGD
SCHEMBL23523939 0.84 NPC1 (0.49) KDM4EHTTATMALDH1A1HPGD
SCHEMBL25856889 0.81 CYP2C9 (0.41) KDM4ECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL30355581 0.77 NPC1 (0.48) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23524151 0.77 NPC1 (0.48) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23524278 0.77 NPC1 (0.47) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23558398 0.77 NPC1 (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL23524196 0.77 CHRNB2 (0.49) KDM4EALDH1A1HPGDHSD17B10TP53

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-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 KDM4E 2644/4885HTT 3156/4885ATM 3844/4885

“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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