SCHEMBL8765671

SCHEMBL8765671

CC(Oc1cccc(O)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
IGLV6-57 P01721 1/20 0.43
ADRB1 P08588 1/20 0.43
MIF P14174 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL27961305 0.81 SRD5A2 (0.49) CYP3A4PTGS1CHRNB4CHRNA3ADRA1A
SCHEMBL2708239 0.81 CA12 (0.54) LMNAHIF1AKDM4E
SCHEMBL4363303 0.80 FFAR1 (0.56) FFAR1ALOX5LTB4RLTB4R2IGLV6-57
SCHEMBL1070170 0.80 CASR (0.50) FFAR1ALOX5IGLV6-57LMNA
SCHEMBL1070173 0.80 CASR (0.50) FFAR1ALOX5IGLV6-57LMNA
SCHEMBL12182421 0.80 ACHE (0.48) FFAR1ALOX5PTGS1LTB4RLTB4R2
SCHEMBL12182460 0.80 ACHE (0.48) FFAR1ALOX5PTGS1LTB4RLTB4R2
SCHEMBL10767870 0.79 FFAR1 (0.57) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL27980861 0.79 ALOX5 (0.50) FFAR1ALOX5LTB4RLTB4R2ADRA1A
SCHEMBL30398332 0.79 CYP3A4 (0.62) CYP3A4CHRNB4CHRNA3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
CN-1847296-B Polyolefin resin composition SUMITOMO CHEMICAL CO 2010-12-01 CN disclosed
CN-1847296-A Polyolefin resin composition SUMITOMO CHEMICAL CO (JP) 2006-10-18 CN disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 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 (2 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR FFAR1 2085/4885CYP3A4 739/4885ALOX5 3803/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR FFAR1 2085/4885CYP3A4 739/4885ALOX5 3803/4885

“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.