SCHEMBL844491

SCHEMBL844491

Cn1c2c(c3ccccc31)CCC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.67
HTR2C P28335 2/20 0.67
KDM4E B2RXH2 4/20 0.65
HSD17B10 Q99714 2/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
ALOX5 P09917 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR5A P47898 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50

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
SCHEMBL3927394 0.96 HTR2A (0.67) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL30223611 0.96 HTR2A (0.67) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL15307679 0.94 HTR2A (0.65) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL8791910 0.90 HTR2A (0.56) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL10309072 0.86 KDM4E (0.64) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL21311802 0.84 HTR2A (0.53) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL11818855 0.83 CYP1A2 (0.63) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL11823048 0.82 CYP1A2 (0.61) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL12950763 0.81 CYP1A2 (0.65) HTR2AHTR2CKDM4EHSD17B10ALOX15
Pnu-22394 SCHEMBL29388570 0.80 HTR2C (1.00) HTR2AHTR2CKDM4EHSD17B10ALOX15

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-8143399-B2 Photosensitizer dye NATIONAL CENTRAL UNIVERSITY (TW) 2012-03-27 US disclosed
US-20090209762-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2009-08-20 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-20090209762-A1 PHOTOSENSITIZER DYE CRY2, CRY1, PPOX HTR2A 2953/4885HTR2C 2319/4885KDM4E 3887/4885

“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.