SCHEMBL9865191

SCHEMBL9865191

Cc1cccc(C)c1CCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP4A11 Q02928 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PLA2G7 Q13093 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL28843868 0.98 KDM4E (0.44) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL16056735 0.93 CYP2A6 (0.42) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL3365956 0.87 ALDH1A1 (0.44) KDM4EPOLBALDH1A1CYP1A2CYP2A6
SCHEMBL9580544 0.87 TRPA1 (0.46) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL28117674 0.85 KDM4E (0.40) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL533943 0.85 ALDH1A1 (0.48) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL20749154 0.85 TAAR1 (0.42) KDM4EPOLBCYP4A11CYP4F2TAAR1
SCHEMBL10581584 0.85 CD44 (0.45) KDM4EPOLBALDH1A1CYP4A11CYP4F2
SCHEMBL8096178 0.84 CYP2A6 (0.45) ALDH1A1CYP1A2CYP2A6TRPA1ATM
SCHEMBL8095408 0.84 CYP2A6 (0.45) ALDH1A1CYP1A2CYP2A6TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107496899-A Aromatic-cationic peptide and use their method 梅约医学教育与研究基金会 2017-12-22 CN disclosed
CN-107219358-A Aromatic-cationic peptides and application thereof 康奈尔大学 2017-09-29 CN disclosed
CN-106913860-A Aromatic-cationic peptide and use their method 梅约医学教育与研究基金会 2017-07-04 CN disclosed
CN-104107417-B Methods For Preventing Or Treating Insulin Resistance 康奈尔大学 2017-04-12 CN disclosed
CN-104225574-B METHODS FOR PREVENTING MITOCHONDRIAL PERMEABILITY TRANSITION 科内尔研究基金会 2017-01-11 CN disclosed
EP-2797896-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2014-11-05 EP disclosed
US-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 US disclosed
US-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 US disclosed
US-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 US disclosed
WO-2013101926-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 WO disclosed
WO-2013101926-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 WO disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP 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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, SCN2B, SCN1A KDM4E 2165/4885POLB 3501/4885ALDH1A1 942/4885

“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.