SCHEMBL18905047

SCHEMBL18905047

CCOC(C)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.61
▸ PTGS2 P35354 2/20 0.61
▸ CYP2D6 P10635 5/20 0.59
▸ CHRM2 P08172 5/20 0.59
▸ HTR1A P08908 5/20 0.59
▸ CHRM1 P11229 5/20 0.59
▸ ADRA1A P35348 5/20 0.59
▸ OPRM1 P35372 5/20 0.59
▸ DRD3 P35462 5/20 0.59
▸ KCNH2 Q12809 5/20 0.59
▸ ADRA2A P08913 4/20 0.59
▸ DRD1 P21728 4/20 0.59
▸ BCHE P06276 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ ALOX15 P16050 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ SLC6A2 P23975 3/20 0.59
▸ SLC6A4 P31645 3/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ SLC22A1 O15245 2/20 0.59

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
SCHEMBL15775294 0.85 PTGS1 (0.58) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL16316914 0.79 PTGS1 (0.73) PTGS1PTGS2CYP2D6CHRM2HTR1A
Ammonia Solution, Strong SCHEMBL11621968 0.77 PTGS1 (0.56) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL9396083 0.76 PTGS1 (1.00) PTGS1PTGS2CYP2D6CHRM2HTR1A
Ammonia Solution, Strong SCHEMBL11621444 0.76 PTGS1 (0.69) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL11687530 0.76 PTGS1 (0.69) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL31298153 0.76 PTGS1 (1.00) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL10052734 0.76 PTGS1 (0.69) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL7932819 0.76 PTGS1 (0.69) PTGS1PTGS2CYP2D6CHRM2HTR1A
SCHEMBL31302958 0.76 PTGS1 (0.64) PTGS1PTGS2CYP2D6CHRM2HTR1A

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-20170155164-A1 LIQUID PHENOTHIAZINE CATHOLYTES FOR NON-AQUEOUS REDOX FLOW BATTERIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-01 — — US disclosed
US-20170155164-A1 LIQUID PHENOTHIAZINE CATHOLYTES FOR NON-AQUEOUS REDOX FLOW BATTERIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-01 — — 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-20170155164-A1 LIQUID PHENOTHIAZINE CATHOLYTES FOR NON-AQUEOUS REDOX FLOW BATTERIES COMT, PNMT, SLC6A12 PTGS1 1856/4885PTGS2 1519/4885CYP2D6 219/4885

“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.

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