SCHEMBL18698039

SCHEMBL18698039

OC1=NOC(C(F)(F)F)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.30

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
SCHEMBL15145976 0.74 MLYCD (0.31) MLYCD
SCHEMBL16419933 0.70 MLYCD (0.31) MLYCD
SCHEMBL14574290 0.62
SCHEMBL10072178 0.60 MLYCD (0.48) MLYCD
SCHEMBL649021 0.60 MLYCD (0.45) MLYCD
SCHEMBL9515375 0.57
SCHEMBL5768409 0.55 PIM1 (0.33)
SCHEMBL22746731 0.55 ALDH1A1 (0.31)
SCHEMBL309609 0.55
SCHEMBL690652 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 US disclosed
US-9938248-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-04-10 US disclosed
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-03-01 US disclosed
US-9834523-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-05 US disclosed
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2017-07-13 US disclosed
US-9611231-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-04 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 (3 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-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 MLYCD 4729/4885
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 MLYCD 4729/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 MLYCD 4729/4885

“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.