SCHEMBL16617866

SCHEMBL16617866

c1ccc(CC2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 2/20 0.41
GRM1 Q13255 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 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
SCHEMBL9271782 0.85 CYP19A1 (0.43) CYP2D6TP53MAPTGRM5GRM1
SCHEMBL8353444 0.77 ALDH1A1 (0.60) CYP2D6ALDH1A1MAPTHPGDSLC22A1
SCHEMBL3918548 0.76 HTR2A (0.54) TP53MEN1ALDH1A1MAPTHPGD
SCHEMBL14098113 0.74 CYP2D6 (0.39) CYP2D6MEN1ALDH1A1MAPTKMT2A
SCHEMBL13319990 0.74 CYP2D6 (0.46) CYP2D6TP53MEN1ALDH1A1MAPT
SCHEMBL7001557 0.74 HTR2A (0.58) CYP2D6TP53GRM5GRM1LMNA
SCHEMBL4664795 0.72 GRM1 (0.49) CYP2D6TP53MEN1KMT2AHSD17B10
SCHEMBL79265 0.71 MAOA (0.48) MEN1MAPTHTTKMT2AGRM5
SCHEMBL14415670 0.71 HTR2A (0.55) CYP2D6TP53GRM5GRM1LMNA
SCHEMBL31613809 0.71 GSK3B (0.56) MAPTSLC22A1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567277-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-02-14 US disclosed
US-9567277-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-02-14 US disclosed
US-9567277-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-02-14 US disclosed
US-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-04-09 US disclosed
US-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-04-09 US disclosed
US-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-04-09 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-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES PPOX, CYBB, CBR3 CYP2D6 1970/4885TP53 2340/4885MEN1 1842/4885

“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.