SCHEMBL10001112

SCHEMBL10001112

CCC(C)c1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
TAS1R2 Q8TE23 5/20 0.34

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
SCHEMBL12369361 0.95 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL17904750 0.89 PKM (0.32)
SCHEMBL107647 0.87 PKM (0.35)
SCHEMBL11996901 0.82
SCHEMBL22434891 0.80
SCHEMBL9503297 0.80 PKM (0.32)
SCHEMBL18790927 0.80
SCHEMBL14787971 0.78 ESR1 (0.36)
SCHEMBL25766314 0.78 PKM (0.31)
SCHEMBL20149526 0.78 USP2 (0.31)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170186970-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-06-29 US disclosed
US-20170033295-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-02-02 US disclosed
EP-2597932-A1 MANUFACTURING METHOD FOR ORGANIC LIGHT-EMITTING DEVICE, AND ORGANIC LIGHT-EMITTING DEVICE Sumitomo Chemical Company, Limited (JP) 2013-05-29 EP disclosed
US-20130034706-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PRODUCTION METHOD OF ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-02-07 US disclosed
WO-2012046736-A1 ORGANIC EL DEVICE, AND METHOD FOR PRODUCING SAME 住友化学株式会社 (JP) 2012-04-12 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 (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-20170186970-A1 Organic Electroluminescent Materials and Devices SLCO4C1, SLC29A1, SLC29A2 TAS1R3 4362/4885TAS1R1 4631/4885TAS1R2 4618/4885
US-20170033295-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP TAS1R3 4218/4885TAS1R1 4460/4885TAS1R2 4284/4885

“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.