SCHEMBL1610847

SCHEMBL1610847

CC(O)(C(=O)OC1CCCCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
CHRM3 P20309 9/20 0.54
CHRM2 P08172 6/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC6A4 P31645 1/20 0.53
KCNH2 Q12809 1/20 0.53
SLC22A1 O15245 1/20 0.52

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
SCHEMBL27620093 0.98 CHRM3 (0.56) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL31147060 0.86 CYP19A1 (0.56) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL28553376 0.82 CYP19A1 (0.51) CYP19A1CHRM3CHRM2LMNACYP2D6
Bromide SCHEMBL11465570 0.80 CHRM3 (0.55) CHRM3CHRM2LMNACYP2D6CYP2C19
SCHEMBL14753782 0.80 CYP3A4 (0.70) CHRM3CHRM2CYP2D6CYP2C19KCNH2
SCHEMBL14753777 0.80 CYP3A4 (0.70) CHRM3CHRM2CYP2D6CYP2C19KCNH2
SCHEMBL31147066 0.79 CYP19A1 (0.52) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL23325147 0.79 ALDH1A1 (0.70) CHRM3CHRM2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL11465418 0.78 CHRM3 (0.54) CHRM3CHRM2LMNACYP2D6CYP2C19
SCHEMBL6347301 0.77 CHRM3 (0.48) CYP19A1CHRM3CHRM2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214426-A1 PROCESS FOR THE PREPARATION OF R-OXYBUTYNIN HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2023-11-09 WO disclosed
US-8513455-B2 2013-08-20 US disclosed
US-20110087042-A1 CRYSTALLINE OXYBUTYNIN AND PROCESS FOR PREPARING THE SAME MATRIX LABORATORIES LIMITED (IN) 2011-04-14 US disclosed
WO-2009122429-A2 CRYSTALLINE OXYBUTYNIN AND PROCESS FOR PREPARING THE SAME MATRIX LABORATORIES LIMITED (IN) 2009-10-08 WO 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-20110087042-A1 CRYSTALLINE OXYBUTYNIN AND PROCESS FOR PREPARING THE SAME HBB, CRYAB, OSBP CYP19A1 1511/4885CHRM3 179/4885CHRM2 643/4885

“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.