SCHEMBL30355355

SCHEMBL30355355

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4cccnc4)o3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ GLA P06280 2/20 0.39

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
SCHEMBL23524270 1.00 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL30355619 0.85 MAPT (0.51) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL30355722 0.85 NPC1 (0.49) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL23524239 0.85 NPC1 (0.49) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL23084682 0.85 MAPT (0.51) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL23523796 0.84 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL30355765 0.84 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL23524297 0.84 CNR1 (0.38) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL30355374 0.84 CNR1 (0.38) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL23524242 0.83 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDCYP1A2

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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 (3 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 2644/4885HSD17B10 3702/4885ALDH1A1 2583/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 1123/4885HSD17B10 1746/4885ALDH1A1 1143/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885HSD17B10 3702/4885ALDH1A1 2583/4885

“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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