SCHEMBL3095434

SCHEMBL3095434

Cc1cc(F)ccc1-c1cc(C=O)c(C)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.35
ESR1 P03372 7/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
POLH Q9Y253 1/20 0.33
PTGS2 P35354 2/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL3104478 0.88 PDE4B (0.40) SLC9A1ERN1KDM4EALDH1A1PTPN1
SCHEMBL3112770 0.84 ERN1 (0.45) SLC9A1ERN1KDM4EALDH1A1ESR1
SCHEMBL3102519 0.81 NOTUM (0.42) SLC9A1ERN1KDM4EALDH1A1PTPN1
SCHEMBL3107575 0.80 ALDH1A1 (0.46) ERN1KDM4EALDH1A1
SCHEMBL3100344 0.79 ERN1 (0.34) SLC9A1ERN1KDM4EALDH1A1PTPN1
SCHEMBL3102505 0.79 KDM4E (0.50) KDM4EALDH1A1ESR1PTGS2LMNA
SCHEMBL3037013 0.76 KDM4E (0.56) SLC9A1KDM4EALDH1A1PTPN1ESR1
SCHEMBL3089847 0.75 GABRP (0.46) SLC9A1
SCHEMBL3106956 0.74 ERN1 (0.55) ERN1KDM4EALDH1A1POLHPTGS1
SCHEMBL6862609 0.72 ALDH1A1 (0.47) KDM4EALDH1A1PDE3BPDE3ALMNA

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 SLC9A1 409/4885ERN1 1620/4885KDM4E 2280/4885

“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.