SCHEMBL3107017

SCHEMBL3107017

Cc1oc(-c2ccccc2)cc1C(Oc1ccc(C(=O)O)cc1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX12 P18054 1/20 0.38
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL3101717 0.92 KMT2A (0.43) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3106857 0.91 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3106914 0.91 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3094121 0.86 GCG (0.46) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3107020 0.85 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3106997 0.83 ALDH1A1 (0.43) KMT2AALDH1A1MAPTHPGDRXRA
SCHEMBL3095547 0.83 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3104503 0.82 NPC1 (0.37) KMT2AHPGDCYP3A4TP53SMN1; SMN2
SCHEMBL3096197 0.82 SMN1; SMN2 (0.37) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL3106998 0.82 NPC1 (0.45) KMT2AHPGDCYP3A4SMN1; SMN2CYP2D6

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
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

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 KMT2A 2159/4885ALDH1A1 3963/4885MEN1 233/4885

“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.