SCHEMBL3674733

SCHEMBL3674733

C=Cc1ccc(N)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TRPA1 O75762 1/20 0.47
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
LCK P06239 2/20 0.39
TSHR P16473 2/20 0.37
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 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
SCHEMBL3680839 0.82 TRPA1 (0.52) ALOX15HSD17B10TRPA1KDM4EMEN1
SCHEMBL8772679 0.81 LCK (0.61) ALOX15CYP3A4HSD17B10KDM4ERAB9A
SCHEMBL8772685 0.81 LCK (0.61) ALOX15CYP3A4HSD17B10KDM4ERAB9A
SCHEMBL3680316 0.78 ALDH1A1 (0.50) ALOX15CYP3A4TRPA1MEN1MAPT
SCHEMBL29403669 0.78 LCK (0.64) ALOX15CYP3A4HSD17B10TRPA1KDM4E
SCHEMBL29502822 0.78 TRPA1 (0.52) ALOX15CYP3A4HSD17B10TRPA1KDM4E
SCHEMBL170797 0.78 LCK (0.64) ALOX15CYP3A4HSD17B10TRPA1KDM4E
SCHEMBL7149065 0.77 KDM4E (0.64) ALOX15CYP3A4HSD17B10KDM4ERAB9A
SCHEMBL14135594 0.74 ALDH1A1 (0.46) TRPA1MAPTALDH1A1HDAC2HDAC3
SCHEMBL2828623 0.74 TRPA1 (0.48) ALOX15CYP3A4HSD17B10TRPA1KDM4E

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-8841477-B2 Sirtuin activating compounds and processes for making the same BRIGHAM YOUNG UNIVERSITY (US) 2014-09-23 US disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 ALOX15 2217/4885CYP3A4 1022/4885HSD17B10 1220/4885
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries RB1, SBK1, NADK ALOX15 1216/4885CYP3A4 534/4885HSD17B10 1398/4885

“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.