SCHEMBL18179322

SCHEMBL18179322

Cc1cc(O)ccc1CF

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.46
ESR1 P03372 7/20 0.46
TYR P14679 2/20 0.43
CYP3A4 P08684 2/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B1 P14061 1/20 0.39
ACHE P22303 1/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL19735194 0.82 CYP3A4 (0.44) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL8752791 0.81 TYR (0.58) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL69172 0.81 ESR2 (0.49) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL31305640 0.79 ESR2 (0.47) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL41776 0.79 ESR2 (0.47) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL2018825 0.79 ESR2 (0.47) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL10306731 0.77 ESR2 (0.46) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL11243543 0.77 ESR2 (0.46) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL4394169 0.77 ESR2 (0.46) ESR2ESR1TYRCYP3A4CHRM1
SCHEMBL16918930 0.76 PYCR1 (0.44) NR3C1PGRNR3C2

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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR2 3/4885ESR1 1/4885TYR 1385/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR2 3/4885ESR1 1/4885TYR 1385/4885

“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.