SCHEMBL5335313

SCHEMBL5335313

O=c1c2ccc(Cl)cc2ccc2ccc(C=Cc3ccc4cc(F)c(Cl)cc4n3)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.37
CYSLTR2 Q9NS75 10/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 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
SCHEMBL5335307 1.00 CYSLTR1 (0.37) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5334880 0.89 GLA (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5334885 0.89 GLA (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5337396 0.86 CYSLTR1 (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5333921 0.86 CYSLTR1 (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5333926 0.86 CYSLTR1 (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5337401 0.86 CYSLTR1 (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5334369 0.81 CYSLTR1 (0.36) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5334374 0.81 CYSLTR1 (0.36) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1
SCHEMBL5335068 0.81 CYSLTR1 (0.39) CYSLTR1CYSLTR2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S CYSLTR1 6/4885CYSLTR2 5/4885KDM4E 736/4885

“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.