SCHEMBL15946158

SCHEMBL15946158

C=C1CC(c2ccccc2)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALDH2 P05091 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRD1 P41143 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL12200316 0.79 ALDH1A1 (0.68) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL14852665 0.79 ALDH1A1 (0.68) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL12200287 0.79 ALDH1A1 (0.68) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL9223130 0.79 ALDH1A1 (0.68) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL14430905 0.77 OPRD1 (0.38) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL13838039 0.74 CTRC (0.45) ALDH1A1ALDH2GAAHPGDHSD17B10
SCHEMBL15177926 0.74 MAOA (0.41) MEN1LMNAMAPTKMT2AMAOA
SCHEMBL9534932 0.74 MAOA (0.41) MEN1LMNAMAPTKMT2AMAOA
SCHEMBL10368265 0.69 CYP19A1 (0.58) MEN1LMNAMAPTKMT2AOPRD1
SCHEMBL10824780 0.69 CTRB1 (0.56) ALDH1A1ALDH2GAAHPGDHSD17B10

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-9309215-B2 Chiral intermediate, process for producing the same and its use in the manufacture of tolterodine, fesoterodine, or the active metabolite thereof UCB PHARMA GMBH (DE) 2016-04-12 US disclosed
US-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF UCB PHARMA GMBH (DE) 2014-08-14 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-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF CYP1B1, NISCH, HSD17B7 ALDH1A1 780/4885ALDH2 1270/4885GAA 818/4885

“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.