SCHEMBL17840301

SCHEMBL17840301

Cc1ccc(-c2c(F)cccc2-c2ccc(C)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 5/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL10091244 0.79 PGR (0.44) BRD4CREBBPTNKSTNKS2AKR1C3
SCHEMBL22149192 0.79 BRD4 (0.44) BRD4CREBBPTNKSTNKS2AKR1C3
SCHEMBL12330295 0.78 TNKS (0.57) BRD4CREBBPTNKSTNKS2AKR1C3
SCHEMBL1044907 0.78 TTR (0.52) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL10014184 0.76 NISCH (0.46) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL10018704 0.76 NISCH (0.46) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL17570165 0.75 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL19935596 0.75 TNKS (0.54) BRD4CREBBPTNKSTNKS2AKR1C3
SCHEMBL803430 0.75 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL10024806 0.75 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 BRD4 1345/4885CREBBP 4497/4885TNKS 4811/4885

“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.