SCHEMBL21938918

SCHEMBL21938918

C=C(N)c1cc(C=O)c(C(=O)O)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ ERN1 O75460 6/20 0.35
▸ POLB P06746 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ UNG P13051 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PLCG1 P19174 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14953740 0.81 CYP19A1 (0.49) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL29266725 0.65 CYP3A4 (0.35) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL12491809 0.64 ERN1 (0.54) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL14266405 0.64 THRB (0.39) ERN1POLBL3MBTL1KDM4ECASP6
Allylamine SCHEMBL29216101 0.63 PTGDR2 (0.38) CYP19A1ERN1HTTALDH1A1UNG
SCHEMBL1175576 0.63 TDP1 (0.58) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL21938917 0.63 CDK4 (0.38) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL243902 0.63 ERN1 (0.52) CYP19A1ERN1POLBL3MBTL1KDM4E
SCHEMBL28385475 0.63 ERN1 (0.57) ERN1POLBL3MBTL1CASP6CTDSP1
SCHEMBL4918747 0.63 ALDH1A1 (0.52) ERN1POLBL3MBTL1KDM4ECTDSP1

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-11034647-B2 Histone acetyltransferase activators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-15 — — US disclosed
US-20200115325-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-16 — — 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-11034647-B2 Histone acetyltransferase activators and uses thereof EP300, KAT2A, NAA40 CYP19A1 4556/4885ERN1 2413/4885POLB 2276/4885
US-20200115325-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF EP300, KAT2A, NAA40 CYP19A1 4556/4885ERN1 2413/4885POLB 2276/4885

“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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