SCHEMBL13533671

SCHEMBL13533671

CC(=O)NC1C(Oc2ccc3cc(C)ccc3c2)OC(CO)C(O)C1O

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL13210176 0.91 POLB (0.66) ALDH1A1SMN1; SMN2POLB
SCHEMBL8986150 0.91 POLB (0.66) ALDH1A1SMN1; SMN2POLB
SCHEMBL13533672 0.90 LGALS3 (0.57) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL26357074 0.90 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL25393298 0.90 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLB
SCHEMBL26356080 0.90 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLB
SCHEMBL26357081 0.90 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLB
SCHEMBL4609230 0.89 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23457377 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23479750 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 — — US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 — — US disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 — — US disclosed
US-20100022620-A1 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2010-01-28 — — 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 (3 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-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION UGCG, SMPD1, SMPD4 ALDH1A1 1992/4885SMN1; SMN2 4391/4885POLB 3194/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 ALDH1A1 1512/4885SMN1; SMN2 405/4885POLB 2560/4885
US-20100022620-A1 EPITOPE REDUCTION THERAPY UGCG, GBA1, ENGASE ALDH1A1 3274/4885SMN1; SMN2 4434/4885POLB 3793/4885

“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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