SCHEMBL23558330

SCHEMBL23558330

CCC1(CO)CC(=O)c2cc(-c3cc(-c4ccccc4O)no3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.40
▸ NPC1 O15118 8/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33

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
SCHEMBL25856895 0.95 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558481 0.94 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL25856949 0.84 CNR1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL25856856 0.84 NPC1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558404 0.84 ABCB1 (0.51) RAB9ANPC1KMT2AHPGDCNR1
SCHEMBL23558589 0.83 NPC1 (0.33) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558461 0.83 NPC1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558315 0.83 CHUK (0.45) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558568 0.81 HSD17B1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL23558433 0.80 HSD17B1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AHPGD

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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (2 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 RAB9A 3056/4885NPC1 301/4885SMN1; SMN2 1320/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 3056/4885NPC1 301/4885SMN1; SMN2 1320/4885

“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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