SCHEMBL23558481

SCHEMBL23558481

O=C1CC(CO)(CO)Oc2ccc(-c3cc(-c4ccccc4O)no3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ NPC1 O15118 7/20 0.42
▸ HPGD P15428 5/20 0.42
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TSHR P16473 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34

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
SCHEMBL23558330 0.94 RAB9A (0.40) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL25856895 0.91 RAB9A (0.42) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558589 0.89 NPC1 (0.33) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558568 0.86 HSD17B1 (0.46) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558433 0.85 HSD17B1 (0.51) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558442 0.83 S1PR1 (0.42) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL25856949 0.80 CNR1 (0.41) RAB9ASMN1; SMN2NPC1CYP1A2KMT2A
SCHEMBL25856856 0.80 NPC1 (0.43) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558414 0.79 SNCA (0.38) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL23558496 0.78 S1PR1 (0.35) RAB9ANPC1HPGDCYP1A2KMT2A

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 3056/4885SMN1; SMN2 1320/4885NPC1 301/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 3056/4885SMN1; SMN2 1320/4885NPC1 301/4885

“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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