SCHEMBL4769652

SCHEMBL4769652

FC(F)(F)C1[C]c2ccccc2CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
PLAU P00749 1/20 0.33
IDO1 P14902 2/20 0.31
PDPK1 O15530 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ANPEP P15144 1/20 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
SCHEMBL4518955 0.81 PNMT (0.39) PNMT
SCHEMBL3653495 0.75 PLAU (0.41) PLAUIDO1PDPK1ANPEP
SCHEMBL1383876 0.71 ANPEP (0.39) PLAUIDO1PDPK1MTNR1AMTNR1B
SCHEMBL2183528 0.71 PDPK1 (0.37) PLAUIDO1PDPK1MTNR1AMTNR1B
SCHEMBL5591941 0.70 HTR2C (0.38)
SCHEMBL5591709 0.70 GAA (0.43) PNMTIDO1PDPK1MTNR1AMTNR1B
SCHEMBL1634692 0.68 CYP11B2 (0.41) PLAUMTNR1AMTNR1B
SCHEMBL9067653 0.67 HTR1A (0.37) PLAUPDPK1MTNR1AMTNR1B
SCHEMBL5714371 0.67 PRCP (0.36) PLAUIDO1PDPK1MTNR1AMTNR1B
SCHEMBL10390219 0.67 HTR1A (0.37) PLAUPDPK1MTNR1AMTNR1B

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 4 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
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 PNMT 4500/4885PLAU 3637/4885IDO1 3306/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PNMT 4500/4885PLAU 3637/4885IDO1 3306/4885

“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.