SCHEMBL13405960

SCHEMBL13405960

CCC(C)c1cccc(CC(F)(F)F)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GABRA1 P14867 5/20 0.42
GABRB2 P47870 4/20 0.42
RORC P51449 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL1798326 0.85 GABRA1 (0.55) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL10486191 0.84 GABRA1 (0.59) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL21419965 0.83 TSHR (0.50) TSHRGABRA1GABRB2RORCSLC6A2
SCHEMBL4779398 0.80 GABRA1 (0.46) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL202738 0.78 TSHR (0.68) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL561299 0.78 TSHR (0.68) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL560346 0.78 TSHR (0.68) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL560318 0.78 TSHR (0.68) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL6870041 0.78 TSHR (0.53) TSHRGABRA1GABRB2RORCGABRG2
SCHEMBL4912786 0.77 TSHR (0.52) TSHRGABRA1GABRB2RORCGABRG2

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-7705191-B2 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
US-20080119566-A1 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-05-22 US disclosed
WO-2008008492-A2 HYDROFLUOROALKYL PHENOLS HAVING ANESTHETIC PROPERTIES UNIVERSITY OF IOWA RESEARCH FDTN. (US) 2008-01-17 WO 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-20080119566-A1 Hydrofluoroalkyl phenols having anesthetic properties OPRL1, VHL, PPARG TSHR 2535/4885GABRA1 697/4885GABRB2 721/4885

“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.