SCHEMBL21202111

SCHEMBL21202111

COc1cccc(OC)c1C1c2c(OC)cccc2C(OC)c2cccc(OC)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
HTR2C P28335 4/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL17401223 0.84 HTR2A (0.47) HTR2ACA1CA2CA7CA9
SCHEMBL17401224 0.79 HTR2A (0.47) HTR2ACA1CA2CA7CA9
SCHEMBL21891271 0.69 DRD2 (0.41) HTR2ACA1CA2CA7CA9
SCHEMBL19766703 0.69 CA1 (0.38) HTR2ACA1CA2CA7CA9
SCHEMBL21192353 0.69 CA1 (0.38) HTR2ACA1CA2CA7CA9
SCHEMBL18287892 0.68 HTR2A (0.45) HTR2ACA1CA2CA7CA9
SCHEMBL16671856 0.67 MGLL (0.51) CA1CA2CA7CA9CA12
SCHEMBL16577518 0.67 ABCB1 (0.57) HTR2ACA1CA2CA7CA9
SCHEMBL27425024 0.67 KDM4E (0.44) HTR2ACA1CA2CA7CA9
SCHEMBL11488229 0.66 MAPT (0.54) CA1CA2CA7CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364249-B2 Azatriangulenium salts as PET-quenched fluorescent probes KOBENHAVNS UNIVERSITET (DK) 2019-07-30 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-10364249-B2 Azatriangulenium salts as PET-quenched fluorescent probes SLC7A5, SLC16A7, KCNN1 HTR2A 3910/4885CA1 110/4885CA2 14/4885

“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.