SCHEMBL13377464

SCHEMBL13377464

Cc1c(C(F)(F)F)n(C)c2c(c1=O)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ GRIA2 P42262 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL13377306 0.97 RXFP1 (0.33) RXFP1LMNATSHRNPSR1
SCHEMBL13377457 0.76 — —
SCHEMBL13377365 0.76 RXFP1 (0.40) RXFP1LMNATSHRNPSR1ALDH1A1
SCHEMBL13377320 0.72 RXFP1 (0.36) RXFP1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL21957120 0.66 AR (0.41) RXFP1HTT
SCHEMBL12251825 0.65 ALOX5 (0.42) RXFP1LMNANPSR1ALDH1A1HTT
SCHEMBL14588430 0.65 ALOX5 (0.37) RXFP1LMNANPSR1ALDH1A1HTT
SCHEMBL21956885 0.63 RXFP1 (0.35) RXFP1LMNATSHRNPSR1
SCHEMBL11830593 0.63 RXFP1 (0.44) RXFP1LMNAALDH1A1ALOX5PTGS1
SCHEMBL22210771 0.63 ALOX5 (0.46) RXFP1LMNANPSR1ALDH1A1HTT

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — US disclosed
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 RXFP1 797/4885LMNA 2155/4885TSHR 2265/4885

“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.

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