SCHEMBL10011534

SCHEMBL10011534

Cc1cccc(C)c1-c1cccc(C=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
MYC P01106 1/20 0.44
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL3967210 0.85 ALDH1A1 (0.55) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL19609001 0.82 ALDH1A1 (0.61) ERN1ALDH1A1TSHRMYCTRIM24
SCHEMBL172956 0.82 ERN1 (0.61) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL29957719 0.82 ERN1 (0.61) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL16439936 0.82 ERN1 (0.67) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL31152506 0.82 ERN1 (0.67) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL1666430 0.81 ALDH1A1 (0.59) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL20339223 0.80 ERN1 (0.59) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL3966538 0.80 ERN1 (0.50) ERN1ALDH1A1TSHRTLR2TLR1
SCHEMBL5734028 0.80 ERN1 (0.46) ERN1ALDH1A1TSHRTLR2TLR1

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ERN1 2352/4885ALDH1A1 3930/4885TSHR 637/4885

“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.