SCHEMBL23558362

SCHEMBL23558362

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ MMP12 P39900 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP11B1 P15538 4/20 0.44
▸ CYP11B2 P19099 4/20 0.44
▸ PDE3B Q13370 4/20 0.44
▸ PDE3A Q14432 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41

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
SCHEMBL25864758 0.85 MAPT (0.43) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25856999 0.84 MAPT (0.56) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25864764 0.83 MAPT (0.42) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558386 0.83 MAPT (0.44) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558382 0.81 MAPT (0.42) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL15425104 0.78 HSD17B1 (0.56) MAPTALDH1A1POLBSMN1; SMN2NPC1
Bromide SCHEMBL6201510 0.77 MAPT (0.64) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6202875 0.77 MAPT (0.64) MAPTALDH1A1POLBHTTSMN1; SMN2
Bromide SCHEMBL26094983 0.76 HSD17B1 (0.54) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL25856996 0.76 MAPT (0.47) 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 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 MAPT 3799/4885ALDH1A1 2583/4885POLB 4432/4885
US-20210188826-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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