SCHEMBL2568049

SCHEMBL2568049

Nc1ccc(CCC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
MAOB P27338 8/20 0.48
MAOA P21397 3/20 0.48
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NFE2L2 Q16236 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CYP19A1 P11511 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
RECQL P46063 1/20 0.41

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
Hydrochloric Acid SCHEMBL2566548 0.98 GFER (0.54) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL14464327 0.91 NFE2L2 (0.53) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL12011038 0.90 GFER (0.46) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL10348165 0.86 MAOB (0.42) GFERMAOBMAOAALDH1A1NFE2L2
Water SCHEMBL9388186 0.85 GFER (0.45) GFERMAOBMAOA
SCHEMBL23183592 0.83 LMNA (0.50) MAOBMAOA
SCHEMBL17609068 0.82 HRH3 (0.44) MAOBMAOALOXL2GPR84
SCHEMBL7926884 0.82 SPHK1 (0.49) MAOBMAOAALDH1A1
SCHEMBL10715712 0.82 HTR2A (0.41) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL20807193 0.80 NFE2L2 (0.51) GFERMAOBMAOANFE2L2

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
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES GFER 1307/4885MAOB 2248/4885MAOA 2482/4885

“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.