SCHEMBL3101038

SCHEMBL3101038

Cc1oc(-c2cccc(C(=O)O)c2)cc1C(O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
PRKDC P78527 1/20 0.42
KMO O15229 2/20 0.41
KEAP1 Q14145 1/20 0.41
POLB P06746 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
UBE2I P63279 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PDE4D Q08499 2/20 0.40

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
SCHEMBL3104263 0.90 FAAH (0.43) ALDH1A1MEN1KMT2APDE4DPDE7A
SCHEMBL3099623 0.88 PRKDC (0.46) ALDH1A1MEN1KMT2APRKDCPOLB
SCHEMBL3113043 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3095541 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3111415 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3102456 0.78 FAAH (0.43) ALDH1A1MEN1KMT2APDE4DPDE7A
SCHEMBL3089943 0.77 IDO1 (0.45) ALDH1A1KMT2APRKDCKDM4ERAB9A
SCHEMBL3109648 0.76 BRD4 (0.39) MEN1KMT2AKDM4ERAB9APDE4A
SCHEMBL3106796 0.76 NPC1 (0.40) MEN1KMT2APRKDCTDP1RAB9A
SCHEMBL3095713 0.76 NPC1 (0.45) ALDH1A1POLBL3MBTL1KDM4ERAB9A

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

“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.