SCHEMBL18179316

SCHEMBL18179316

Cc1cc(F)c(O)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GABRA1 P14867 5/20 0.42
GABRB2 P47870 3/20 0.42
ADRA1A P35348 3/20 0.42
TRPA1 O75762 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2B P41595 1/20 0.42
ACHE P22303 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
GABRB1 P18505 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35

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
SCHEMBL20711875 0.91 LMNA (0.48) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL16736827 0.83 ACHE (0.46) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL20315041 0.82 GABRA1 (0.45) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL15012642 0.81 LMNA (0.56) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL9945874 0.81 LMNA (0.35) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL1536776 0.79 ACHE (0.50) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL1487434 0.79 LMNA (0.59) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL20642320 0.79 EIF4A3 (0.37) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL13588022 0.79 GABRA1 (0.34) LMNAGABRA1GABRB2ADRA1ATRPA1
SCHEMBL5377474 0.77 GABRA1 (0.45) LMNAGABRA1GABRB2ADRA1ATRPA1

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 3 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
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 EP 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 LMNA 1522/4885GABRA1 2423/4885GABRB2 2760/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 LMNA 1522/4885GABRA1 2423/4885GABRB2 2760/4885

“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.