SCHEMBL2057331

SCHEMBL2057331

CC1=[N+](C)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
PABPC1 P11940 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 3/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12901060 0.81 HPGD (0.41) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL178274 0.78 ALOX15 (0.39) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL134567 0.78 CA12 (0.40) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL16691839 0.78 MAPT (0.39) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL2057325 0.78 PABPC1 (0.42) ALOX15HPGDHTTMAPTPABPC1
Perchlorate SCHEMBL2057262 0.78 HPGD (0.39) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL13984987 0.74 HPGD (0.36) ALOX15HPGDHTTMAPTPABPC1
Perchlorate SCHEMBL2057339 0.74 CA12 (0.39) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL101512 0.73 HPGD (0.47) ALOX15HPGDHTTMAPTPABPC1
SCHEMBL9757294 0.70 MAPT (0.58) ALOX15HPGDHTTMAPTPABPC1

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-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 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 (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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE ALOX15 4567/4885HPGD 3386/4885HTT 3252/4885

“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.