SCHEMBL12705776

SCHEMBL12705776

Cc1c(COC(C)C)cc(C(C)(C)C)cc1COC(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP2C19 P33261 2/20 0.35
TACR1 P25103 1/20 0.34
HTR1D P28221 2/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL914908 0.83 PTPN1 (0.42) HMGCRGABRA1GABRB2CYP2C19TACR1
Fluoride SCHEMBL914959 0.81 HMGCR (0.34) HMGCRGABRA1GABRB2CYP2C19TACR1
SCHEMBL914312 0.81 HMGCR (0.34) HMGCRGABRA1GABRB2CYP2C19TACR1
SCHEMBL914960 0.79 ATM (0.33) HMGCRGABRA1GABRB2CYP2C19PTPN1
SCHEMBL12705774 0.79 HMGCR (0.33) HMGCRGABRA1GABRB2CYP2C19PTPN1
SCHEMBL12705778 0.78 TACR1 (0.38) HMGCRGABRA1GABRB2CYP2C19TACR1
SCHEMBL12353847 0.78 GABRA1 (0.39) GABRA1GABRB2CYP2C19HTR1DPOLB
SCHEMBL12905796 0.76 HMGCR (0.34) HMGCRCYP2C19ATM
SCHEMBL12705787 0.76 GABRA1 (0.38) GABRA1GABRB2CYP2C19HTR1DPOLB
SCHEMBL22022403 0.76 HMGCR (0.49) HMGCRGABRA1GABRB2TACR1HTR1D

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 HMGCR 3386/4885GABRA1 1880/4885GABRB2 1624/4885

“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.