SCHEMBL3699327

SCHEMBL3699327

CCN=CN(C)c1cc(C)c(Oc2cccc(CO)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
TTR P02766 1/20 0.33
TSHR P16473 2/20 0.33
F10 P00742 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.32
S1PR1 P21453 4/20 0.32
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4438517 0.84 TTR (0.39) NR1H2NR1H3TTRTSHRF10
SCHEMBL16858000 0.78 TEAD1 (0.30)
SCHEMBL2988678 0.76 NR1H2 (0.36) NR1H2NR1H3TTRTSHRF10
SCHEMBL2988680 0.76 NR1H2 (0.36) NR1H2NR1H3TTRTSHRF10
SCHEMBL4419970 0.74 HTR2A (0.40)
SCHEMBL6907658 0.71 MRGPRX4 (0.33)
SCHEMBL4414450 0.71 AR (0.53)
SCHEMBL1745696 0.68 FFAR1 (0.54) NR1H2NR1H3TTRTSHRF10
SCHEMBL4430577 0.67 CYP4F2 (0.36) TSHRHSD17B10FFAR1FFAR4
SCHEMBL2987662 0.66 CYP4F2 (0.37) TSHRHSD17B10FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122678-A1 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US claimed

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-20120122678-A1 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES PAH, DDT, PFAS NR1H2 4659/4885NR1H3 4665/4885TTR 3123/4885

“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.