SCHEMBL30355367

SCHEMBL30355367

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccco4)no3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ TP53 P04637 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL23524256 1.00 MAPT (0.47) MAPTPOLBTP53RXFP1MEN1
SCHEMBL23524215 0.85 S1PR1 (0.40) MAPTPOLBTP53MEN1MAPK1
SCHEMBL30355362 0.85 S1PR1 (0.40) MAPTPOLBTP53MEN1MAPK1
SCHEMBL23523716 0.84 NPC1 (0.43) MAPTPOLBTP53MEN1NFKB1
SCHEMBL30355571 0.84 NPC1 (0.43) MAPTPOLBTP53MEN1NFKB1
SCHEMBL23524175 0.84 PPARA (0.37) MAPTMEN1NFKB1NFKB2KMT2A
SCHEMBL30355725 0.84 PPARA (0.37) MAPTMEN1NFKB1NFKB2KMT2A
SCHEMBL30355837 0.84 NR1H4 (0.50) MAPTTP53RXFP1MEN1NFKB1
SCHEMBL23523958 0.84 NR1H4 (0.50) MAPTTP53RXFP1MEN1NFKB1
SCHEMBL23523721 0.83 NPC1 (0.38) MAPTTP53MEN1KMT2ASMN1; SMN2

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 MAPT 3799/4885POLB 4432/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 1551/4885POLB 4750/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885POLB 4432/4885TP53 4030/4885

“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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