SCHEMBL20656331

SCHEMBL20656331

CCC1(C(C)C)OC(=O)Nc2ccc(F)c(F)c21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 5/20 0.41
PGR P06401 8/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
ADRA2C P18825 1/20 0.35
TACR2 P21452 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
PTH1R Q03431 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.33

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
SCHEMBL6986440 0.68 HTR2A (0.45) ELOVL6PGRNR3C1NR3C2AR
SCHEMBL6986545 0.68 CYP46A1 (0.44) ELOVL6PGRNR3C1NR3C2AR
SCHEMBL2260381 0.62 PGR (0.49) PGRNR3C1NR3C2ARADRA2C
SCHEMBL12394684 0.61 PGR (0.71) ELOVL6PGRNR3C1NR3C2AR
SCHEMBL4120633 0.56 ELOVL6 (0.42) ELOVL6PGR
SCHEMBL31727513 0.56 HTR6 (0.41) PGRADRA2CTACR2ADRA1DHTR2A
SCHEMBL4586111 0.56 CES1 (0.52)
SCHEMBL5516094 0.55 LMNA (0.42) ELOVL6PGRNR3C1NR3C2AR
SCHEMBL5115070 0.55 PGR (0.47) PGRNR3C1NR3C2AR
SCHEMBL3870838 0.54 PGR (0.78) PGRNR3C1NR3C2AR

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-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 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 (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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 ELOVL6 1047/4885PGR 3776/4885NR3C1 1716/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ELOVL6 1047/4885PGR 3776/4885NR3C1 1716/4885

“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.