SCHEMBL19844937

SCHEMBL19844937

C=CCc1ccc(N=NC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ ALDH2 P05091 1/20 0.35

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
SCHEMBL1170379 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL1170377 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL22557798 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL7718087 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL19851313 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL7828453 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL10398664 0.73 MEN1 (0.48) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL10398663 0.73 MEN1 (0.48) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL6382150 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL173301 0.72 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15

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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 — — 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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR ALDH1A1 247/4885SMN1; SMN2 4440/4885CYP3A4 957/4885

“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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