SCHEMBL18378484

SCHEMBL18378484

CC(C)[CH]c1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.33
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL18241907 0.88 PDE2A (0.32) PDE2A
SCHEMBL18243584 0.86 PDE2A (0.31) PDE2A
SCHEMBL18241863 0.83 CYP1A2 (0.44) PDE2ANPC1RAB9A
SCHEMBL18242425 0.78 TSHR (0.39)
SCHEMBL18243182 0.77 NFE2L2 (0.40)
SCHEMBL6320606 0.76 TYR (0.38)
SCHEMBL18243533 0.76 CYP1A2 (0.32) NR1H2NR1H3
SCHEMBL9359775 0.76 CYP1A2 (0.45) NPC1RAB9A
SCHEMBL18378240 0.72 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL18242831 0.72 AR (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 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 PDE2A 2289/4885NR1H2 1241/4885NR1H3 1216/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PDE2A 2289/4885NR1H2 1241/4885NR1H3 1216/4885

“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.