SCHEMBL25864752

SCHEMBL25864752

CCOC(=O)c1ccc(C(F)(F)F)c(OCCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.49
PTGER4 P35408 3/20 0.48
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NOTUM Q6P988 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL3234717 0.88 NOTUM (0.56) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL25860219 0.87 HSD17B2 (0.52) HSD17B2KDM4EALDH1A1HPGDCA12
SCHEMBL13434198 0.84 MRGPRX4 (0.49) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL24214083 0.82 NOTUM (0.57) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL27101323 0.81 HSD17B2 (0.52) HSD17B2PTGER4KDM4EALDH1A1CA12
SCHEMBL13461275 0.81 HSD17B2 (0.52) HSD17B2PTGER4KDM4EHPGDCA12
SCHEMBL25864576 0.81 PTGER4 (0.51) HSD17B2PTGER4ALDH1A1HTTKMT2A
SCHEMBL25048670 0.78 CA12 (0.66) HSD17B2KDM4EALDH1A1HPGDCA12
SCHEMBL1993657 0.78 CA12 (0.56) HSD17B2KDM4EALDH1A1HPGDHTT
SCHEMBL24214079 0.78 HTT (0.51) KDM4EALDH1A1HPGDHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 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 (1 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-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD HSD17B2 1940/4885PTGER4 2406/4885KDM4E 3469/4885

“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.