SCHEMBL17264257

SCHEMBL17264257

Cc1cc(O)cc(C)c1-n1cc[n+](-c2c(C)cc(O)cc2C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
Hydrochloric Acid SCHEMBL1156276 0.84 — —
Hydrochloric Acid SCHEMBL534853 0.84 — —
Iodide SCHEMBL670623 0.84 — —
Hydrochloric Acid SCHEMBL30102493 0.82 — —
SCHEMBL9923620 0.79 TSHR (0.33) —
SCHEMBL2827554 0.79 — —
Bicarbonate SCHEMBL29742345 0.79 KDM4E (0.30) —
Hydrochloric Acid SCHEMBL9893439 0.78 TSHR (0.32) —
SCHEMBL325542 0.76 ALDH1A1 (0.31) —
Trifluoromethanesulfonic Acid SCHEMBL6483813 0.71 GPR3 (0.32) —

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
US-9688641-B2 Process for preparing asymmetrical imidazolium salts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2017-06-27 — — US disclosed
US-9688641-B2 Process for preparing asymmetrical imidazolium salts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2017-06-27 — — US disclosed
US-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts Ecole National Superieure de Chimie de Rennes (FR) 2015-11-19 — — US disclosed
US-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts Ecole National Superieure de Chimie de Rennes (FR) 2015-11-19 — — 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-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts HRH4, F12, ADH1A CYP3A4 134/4885CHRM1 79/4885ALOX15 1730/4885

“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.

Send feedback