SCHEMBL1336741

SCHEMBL1336741

COc1ccc(-c2cc(F)c(N)c(F)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGS2 P35354 3/20 0.48
ERN1 O75460 2/20 0.48
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP17A1 P05093 1/20 0.46
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1336947 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL1336715 0.89 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL1337470 0.84 DYRK1A (0.56) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL8840880 0.79 PDE4A (0.67) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL19187831 0.79 PTGS2 (0.54) PTGS2ERN1PDE4APDGFRBPDGFRA
SCHEMBL1337498 0.78 DYRK1A (0.54) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL19186971 0.78 PTGS2 (0.53) PTGS2ERN1PDE4ACYP17A1PDGFRB
SCHEMBL9464193 0.78 CYP17A1 (0.61) ALDH1A1PTGS2ERN1SMN1; SMN2MEN1
SCHEMBL16541912 0.76 PDE4A (0.46) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL17239836 0.76 NFE2L2 (0.58) ALDH1A1HSD17B10TSHRCYP3A4TDP1

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
CN-108467370-B Triazole naphthoquinone bi-aromatic ring derivative or triazole naphthoquinone bi-aromatic heterocyclic derivative, and preparation method and application thereof 四川大学 2021-11-23 CN disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885HSD17B10 115/4885TSHR 4789/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885HSD17B10 115/4885TSHR 4789/4885

“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.