SCHEMBL4547673

SCHEMBL4547673

Cc1c(F)cc(CC(C=O)CCc2ccc(C#N)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
CYP19A1 P11511 9/20 0.35
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
FFAR1 O14842 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
NSD2 O96028 1/20 0.32
IDH1 O75874 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL4547675 0.81 CYP19A1 (0.32) MMP12MMP13CYP19A1
SCHEMBL4547670 0.80 POLB (0.33)
SCHEMBL4547666 0.77 CYP4A11 (0.43) HSD17B10LOXL2IDH1
SCHEMBL13629737 0.75 TSHR (0.32) TSHR
SCHEMBL2291504 0.73 CYP4A11 (0.44) MMP12MMP13TSHRHSD17B10LOXL2
SCHEMBL2289012 0.73 CYP4A11 (0.44) MMP12MMP13TSHRHSD17B10LOXL2
SCHEMBL10327471 0.70 CYP2A6 (0.41) CYP2A6TSHRKCNH2FFAR1CA12
SCHEMBL2292871 0.69 CYP4Z1 (0.43) MMP12MMP13TSHRHSD17B10
SCHEMBL2294774 0.68 CYP4Z1 (0.39) TSHRHSD17B10
SCHEMBL19963046 0.66 MMP12 (0.34) MMP12MMP13CYP19A1CYP2A6TSHR

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-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 MMP12 3145/4885MMP13 4366/4885CYP19A1 784/4885

“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.