SCHEMBL17766744

SCHEMBL17766744

CC(C)Oc1ccc(OB(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ ACACB O00763 18/20 0.43
▸ ACACA Q13085 11/20 0.43

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
SCHEMBL31026422 0.80 NNMT (0.44) ALDH1A1
SCHEMBL2201487 0.80 NNMT (0.44) ALDH1A1
SCHEMBL27681568 0.78 ALDH1A1 (0.47) ALDH1A1ACACBACACA
SCHEMBL30501667 0.77 MAPT (0.49) ACACB
SCHEMBL1373919 0.75 KMT2A (0.50) ALDH1A1ACACBACACA
SCHEMBL29636288 0.75 ALDH1A1 (0.45) ALDH1A1ACACBACACA
SCHEMBL561514 0.75 ALDH1A1 (0.45) ALDH1A1ACACBACACA
SCHEMBL28833451 0.75 KDM4C (0.37) —
SCHEMBL1547410 0.75 ACACB (0.53) ALDH1A1ACACBACACA
SCHEMBL5423751 0.73 ACACB (0.46) ALDH1A1ACACBACACA

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-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 — — US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 — — 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-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 1112/4885ACACB 1806/4885ACACA 1889/4885

“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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