SCHEMBL12705771

SCHEMBL12705771

CCOCc1cc(C(C)(C)C)cc(COCC)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
HTR1D P28221 2/20 0.34
HMGCR P04035 1/20 0.33
TACR1 P25103 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
HIF1A Q16665 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL914352 0.82 CYP2C19 (0.38) GABRA1GABRB2CYP2C19KDM4EALDH1A1
SCHEMBL914586 0.81 GABRA1 (0.34) GABRA1GABRB2CYP2C19KDM4EALDH1A1
Fluoride SCHEMBL915855 0.81 GABRA1 (0.34) GABRA1GABRB2CYP2C19KDM4EALDH1A1
SCHEMBL12705778 0.79 TACR1 (0.38) GABRA1GABRB2CYP2C19KDM4EALDH1A1
SCHEMBL12353847 0.79 GABRA1 (0.39) GABRA1GABRB2CYP2C19KDM4EALDH1A1
SCHEMBL4179739 0.78 HMGCR (0.33) GABRA1GABRB2CYP2C19HMGCR
SCHEMBL915857 0.78 CYP2C19 (0.33) GABRA1GABRB2CYP2C19CYP2D6
SCHEMBL12705787 0.78 GABRA1 (0.38) GABRA1GABRB2CYP2C19ALDH1A1HPGD
SCHEMBL17328716 0.77 CA12 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12905824 0.77 HMGCR (0.35) GABRA1GABRB2CYP2C19KDM4EALDH1A1

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-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 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-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL GABRA1 1880/4885GABRB2 1624/4885CYP2C19 2602/4885

“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.