SCHEMBL777692

SCHEMBL777692

CC(C)(C)Cc1ccc(OC(C)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CASR P41180 1/20 0.37
PTPN1 P18031 1/20 0.36
SLC6A4 P31645 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
GRIN2B Q13224 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
SCHEMBL1912680 0.88 ALDH1A1 (0.49) ESR1ALDH1A1TSHRCASRSLC6A4
SCHEMBL74178 0.83 ESR1 (0.52) ESR1PPARAPPARGTHRATHRB
SCHEMBL4218815 0.79 ALDH1A1 (0.41) PPARAPPARGALDH1A1TSHRPTPN1
SCHEMBL30967134 0.79 MAOB (0.47) MAOB
SCHEMBL934447 0.79 PPARA (0.59) PPARAPPARGALDH1A1TSHRPTPN1
SCHEMBL3480017 0.78 ESR1 (0.56) ESR1PPARGTHRATHRBALDH1A1
SCHEMBL11946587 0.78 ESR1 (0.47) ESR1PPARAPPARGTHRATHRB
SCHEMBL12621742 0.78 THRB (0.43) PPARAPPARGTHRBALDH1A1TSHR
SCHEMBL6685103 0.76 ESR1 (0.74) ESR1THRATHRBALDH1A1TSHR
SCHEMBL777211 0.76 PTPN1 (0.41) ESR1ALDH1A1TSHRPTPN1SLC6A4

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-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 ESR1 2233/4885PPARA 1041/4885PPARG 957/4885

“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.