SCHEMBL31759482

SCHEMBL31759482

O=C(O)C1(c2c(F)cc(Cl)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.53
AKR1C2 P52895 6/20 0.53
AKR1C1 Q04828 3/20 0.53
APP P05067 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYP2D6 P10635 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SPR P35270 1/20 0.35

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
SCHEMBL9314481 0.78 AKR1C1 (0.45) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL31759338 0.77 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL28083408 0.77 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL12303757 0.77 CPS1 (0.40) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL348608 0.77 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL20242022 0.74 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL20242254 0.74 HDAC4 (0.60) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL14973733 0.74 AKR1C3 (0.43) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL20242053 0.74 AKR1C3 (0.45) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL16585418 0.74 AKR1C1 (0.57) AKR1C3AKR1C2AKR1C1APPCYP2C19

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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 AKR1C3 314/4885AKR1C2 761/4885AKR1C1 834/4885

“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.