SCHEMBL10241353

SCHEMBL10241353

Cc1cc(/C(C[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccc(F)cc2C)=N/O)ccn1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.78
KDM4C Q9H3R0 4/20 0.36
KDM5A P29375 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
MAP4K4 O95819 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
WNT3A P56704 2/20 0.34
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
CDK9 P50750 1/20 0.33
CTSA P10619 1/20 0.33
KDM4A O75164 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
SCHEMBL10241352 1.00 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4
SCHEMBL1389736 1.00 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4
SCHEMBL362433 1.00 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4
SCHEMBL1390134 1.00 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4
SCHEMBL1390314 0.89 GPBAR1 (0.71) GPBAR1KDM4CKDM5AKDM5BPTGDR2
SCHEMBL1390315 0.89 GPBAR1 (0.71) GPBAR1KDM4CKDM5AKDM5BPTGDR2
SCHEMBL363095 0.89 GPBAR1 (0.71) GPBAR1KDM4CKDM5AKDM5BPTGDR2
SCHEMBL15949179 0.89 GPBAR1 (0.62) GPBAR1KDM4CKDM5AKDM5BPTGDR2
SCHEMBL363135 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4
SCHEMBL370854 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BMAP4K4

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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885KDM4C 4242/4885KDM5A 3517/4885

“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.