SCHEMBL18243149

SCHEMBL18243149

[O]c1cccc2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
KIF11 P52732 3/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CES2 O00748 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR2 P34972 2/20 0.39
KCNJ11 Q14654 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BACE1 P56817 1/20 0.37
METAP2 P50579 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
SCHEMBL18241974 0.85 PTPRC (0.42) PTPRCTRPV1CYP1A1CYP1A2CYP1B1
SCHEMBL18243206 0.85 KIF11 (0.41) KIF11CYP1A1CYP1A2CYP1B1CES2
SCHEMBL18242057 0.82 PTPRC (0.40) PTPRCTRPV1CYP1A1CYP1A2CYP1B1
SCHEMBL18242345 0.81 PTPRC (0.39) PTPRCTRPV1CYP1A1CYP1A2CYP1B1
SCHEMBL18243956 0.81 TSHR (0.38) PTPRCTRPV1CYP1A2CYP1B1TSHR
SCHEMBL18241941 0.79 PTPRC (0.40) PTPRCTRPV1CYP1B1TSHR
SCHEMBL10408737 0.78 ALDH1A1 (0.56) PTPRCKIF11CYP1A1CYP1A2CYP1B1
SCHEMBL23206122 0.77 CYP1A2 (0.57) PTPRCTRPV1KIF11CYP1A2TSHR
SCHEMBL4078183 0.77 F2 (0.49) PTPRCTRPV1KIF11TSHRMAPK1
SCHEMBL4727635 0.77 CTDSP1 (0.53) PTPRCTRPV1KIF11CYP1A2CES2

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 PTPRC 2973/4885TRPV1 1051/4885KIF11 3984/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PTPRC 2973/4885TRPV1 1051/4885KIF11 3984/4885

“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.