SCHEMBL18243266

SCHEMBL18243266

CCC([O])c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
CES2 O00748 3/20 0.35
PDE2A O00408 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CACNA1H O95180 5/20 0.33
GPR35 Q9HC97 1/20 0.33
CACNA1C Q13936 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLQ O75417 1/20 0.31
GPR17 Q13304 1/20 0.31
AR P10275 1/20 0.30
POLB P06746 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
SCHEMBL18242650 0.85 TAS1R3 (0.36) NOTUMCES2CACNA1HGPR35CACNA1C
SCHEMBL18242434 0.78 P2RX7 (0.44) AKR1C3AKR1C2MAPK1TSHRPOLB
SCHEMBL18242750 0.78 RXRA (0.32)
SCHEMBL18242578 0.78 CES2 (0.38) NOTUMCES2PDE2ACACNA1HCACNA1C
SCHEMBL18243407 0.77 PDE2A (0.49) CES2PDE2APOLQAR
SCHEMBL18242736 0.75
SCHEMBL20072258 0.74 CES2 (0.38) NOTUMCES2PDE2ACACNA1HCACNA1C
SCHEMBL18242293 0.74 CES2 (0.38) NOTUMCES2PDE2ACACNA1HCACNA1C
SCHEMBL18242161 0.73
SCHEMBL4088512 0.72 CES2 (0.39) CES2PDE2ACACNA1HGPR35CACNA1C

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 NOTUM 2672/4885CES2 1419/4885PDE2A 2289/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 NOTUM 2672/4885CES2 1419/4885PDE2A 2289/4885

“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.