SCHEMBL25864758

SCHEMBL25864758

O=C1CCc2cc(-c3cc(-c4ccc(OCCO)c(O)c4)on3)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAP3K8 P41279 1/20 0.39
▸ CYP11B1 P15538 5/20 0.38
▸ CYP11B2 P19099 5/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23558386 0.93 MAPT (0.44) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25864764 0.89 MAPT (0.42) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558382 0.87 MAPT (0.42) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558362 0.85 MAPT (0.51) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25856999 0.76 MAPT (0.56) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25856996 0.71 MAPT (0.47) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25856997 0.70 MAPT (0.47) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10900923 0.69 MAOB (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10779358 0.67 MAPT (0.62) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558388 0.64 CYP11B1 (0.49) MAPTALDH1A1POLBHTTSMN1; 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3799/4885ALDH1A1 2583/4885POLB 4432/4885

“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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