SCHEMBL25863960

SCHEMBL25863960

CCC1(CO)CC(=O)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)co3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.40
▸ RARG P13631 4/20 0.40
▸ RARA P10276 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23558404 0.82 ABCB1 (0.51) RARBRARGRARAKDM4EALDH1A1
SCHEMBL20587543 0.77 KDM4E (0.45) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL31513297 0.77 KDM4E (0.45) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL23558439 0.70 TPH1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23558330 0.70 RAB9A (0.40) ALDH1A1GAAHPGDMAPTCNR1
SCHEMBL23558315 0.68 CHUK (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23558464 0.68 ACACB (0.37) ACACB
SCHEMBL23558461 0.67 NPC1 (0.45) HPGDCNR1CNR2SMN1; SMN2KMT2A
SCHEMBL23523733 0.66 NPC1 (0.47) RARBRARGRARAKDM4EMAPT
SCHEMBL30355583 0.66 NPC1 (0.47) RARBRARGRARAKDM4EMAPT

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 RARB 2444/4885RARG 2654/4885RARA 2813/4885

“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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