SCHEMBL2018161

SCHEMBL2018161

Cc1cc(C(C)(C)C)cc(C)c1Sc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTR1D P28221 5/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTR1B P28222 3/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 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
SCHEMBL11613649 0.85 ALDH1A1 (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL896031 0.83 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL12705758 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL2022116 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL14629628 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL3818856 0.75 CYP2C9 (0.47) POLBGABRA1GABRB2TSHRALDH1A1
SCHEMBL24344713 0.74 POLB (0.41) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL9935610 0.73 RAPGEF4 (0.43) TSHRALDH1A1TDP1HSD17B10TP53
SCHEMBL8664743 0.73 POLB (0.57) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL93161 0.71 GABRA1 (0.69) POLBHTR1DGABRA1GABRB2HTR1B

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-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides I M &T RESEARCH, INC. (US) 2011-06-30 US disclosed
WO-2009114409-A2 FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES IM & T RESEARCH, INC. (US) 2009-09-17 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-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides CYP2F1, PFAS, CYP4F2 POLB 2365/4885HTR1D 2309/4885GABRA1 621/4885

“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.