SCHEMBL3106747

SCHEMBL3106747

COc1ccc(-c2cc(C=O)c(C)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
BCHE P06276 1/20 0.51
ALOX5 P09917 1/20 0.51
ALOX15 P16050 1/20 0.51
ACHE P22303 1/20 0.51
MAOB P27338 5/20 0.49
KCNA5 P22460 2/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL3101524 0.83 SCN10A (0.44) EGFRBCHEALOX5ALOX15ACHE
SCHEMBL3091522 0.83 ALDH1A1 (0.52) MAOBALDH1A1MAPTHPGDKDM4E
SCHEMBL3099202 0.81 EGFR (0.51) EGFRBCHEALOX5ALOX15ACHE
SCHEMBL3100220 0.81 NPC1 (0.55) BCHEALOX5ACHEKCNA5KCNH2
SCHEMBL3101569 0.81 ESR1 (0.56) ALOX15MAOBALDH1A1MAPTHPGD
SCHEMBL3102505 0.81 KDM4E (0.50) BCHEALOX5ACHEMAOBALDH1A1
SCHEMBL3104199 0.81 DDAH1 (0.46) MAOBALDH1A1MAPTHPGDKDM4E
SCHEMBL3927669 0.80 ESR1 (0.56) EGFRBCHEALOX5ALOX15ACHE
SCHEMBL3107575 0.80 ALDH1A1 (0.46) MAOBALDH1A1MAPTHPGDKDM4E
SCHEMBL3095617 0.79 ABCB1 (0.41) EGFRBCHEALOX5ALOX15ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3549930-A1 NOVEL ESTER COMPOUND AND PIN1 INHIBITOR, INFLAMMATORY DISEASE THERAPEUTIC, AND COLON CANCER THERAPEUTIC IN WHICH SAID ESTER COMPOUND IS USED Hiroshima University (JP) 2019-10-09 EP disclosed
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP disclosed
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR EGFR 2791/4885BCHE 1252/4885ALOX5 2479/4885

“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.