SCHEMBL23558568

SCHEMBL23558568

O=C1CC(CO)(CO)Oc2ccc(-c3cc(-c4ccc(O)cc4)no3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ MAPT P10636 1/20 0.41
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 8/20 0.34
▸ RAB9A P51151 8/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KLK7 P49862 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
SCHEMBL23558442 0.90 S1PR1 (0.42) HSD17B1HSD17B2MAPTABCB1ABCC1
SCHEMBL23558433 0.90 HSD17B1 (0.51) HSD17B1HSD17B2MAPTABCB1ABCC1
SCHEMBL23558481 0.86 RAB9A (0.42) HSD17B1HSD17B2MAPTABCB1ABCC1
SCHEMBL23558404 0.84 ABCB1 (0.51) ABCB1ABCC1ALDH1A1KMT2ANPC1
SCHEMBL23558589 0.83 NPC1 (0.33) HSD17B1HSD17B2MAPTABCB1ABCC1
SCHEMBL23558412 0.83 TPH1 (0.42) MAPTALDH1A1AKT1KMT2ANPC1
SCHEMBL23558330 0.81 RAB9A (0.40) HSD17B1HSD17B2MAPTABCB1ABCC1
SCHEMBL23558461 0.80 NPC1 (0.45) HSD17B1HSD17B2ABCB1ABCC1KMT2A
SCHEMBL23558496 0.79 S1PR1 (0.35) MAPTABCB1ABCC1ALDH1A1KMT2A
SCHEMBL23558439 0.77 TPH1 (0.42) MAPTALDH1A1AKT1KMT2ANPC1

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 HSD17B1 2149/4885HSD17B2 2368/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HSD17B1 2149/4885HSD17B2 2368/4885MAPT 3799/4885

“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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