SCHEMBL30355892

SCHEMBL30355892

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4ccccc4OC)s3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.42
▸ HSD17B10 Q99714 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ GUSB P08236 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL23524346 1.00 KDM4E (0.42) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL30355512 0.84 CNR1 (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL29673274 0.84 CNR1 (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23523990 0.84 CNR1 (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20587491 0.84 CNR1 (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23524076 0.83 NPC1 (0.47) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL30355716 0.83 NPC1 (0.47) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23523829 0.82 CNR1 (0.38) KDM4EHSD17B10ALDH1A1HPGDRAB9A
SCHEMBL30355653 0.82 CNR1 (0.38) KDM4EHSD17B10ALDH1A1HPGDRAB9A
SCHEMBL23523991 0.82 CNR1 (0.37) KDM4EHSD17B10ALDH1A1HPGDRAB9A

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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