SCHEMBL2844470

SCHEMBL2844470

Cc1ccccc1CCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
GPR84 Q9NQS5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KCNH2 Q12809 3/20 0.39

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
SCHEMBL27472295 0.85 TAAR1 (0.50) TAAR1ALDH1A1IGF1RALOX15KCNH2
SCHEMBL31500447 0.84 TAAR1 (0.54) TAAR1ALDH1A1KCNH2
SCHEMBL2353922 0.84 TAAR1 (0.54) TAAR1ALDH1A1KCNH2
SCHEMBL6546881 0.82 TAAR1 (0.65) TAAR1GPR84LMNAALDH1A1
SCHEMBL13276099 0.81 TAAR1 (0.47) TAAR1ALDH1A1
SCHEMBL9799345 0.81 MAOB (0.57) TAAR1
SCHEMBL11303064 0.80 MAPK1 (0.47) TAAR1KDM4ELMNATHRBNPC1
SCHEMBL6546802 0.79 TAAR1 (0.52) TAAR1ALDH1A1
SCHEMBL2302649 0.78 KMT2A (0.50) TAAR1GPR84LMNANPC1RAB9A
SCHEMBL29979642 0.78 SIGMAR1 (0.47) TAAR1GPR84ALDH1A1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
CN-1131235-C 11 beta-halogen-7 alpha-substituted estratrienes, method for producing pharmaceutical preparations containing said 11 beta-halogen-7 alpha-substituted estratrienes, and use of said substances for producing medicaments SCHERING AG (DE) 2003-12-17 CN disclosed
CN-1286693-A 11 'beta'-halogen-7 'alpha'-substd estratrienes, method for producing pharmaceutical preparations contg. said 11 'beta'-halogen-7 'alpha'-substd estratrienes and use of same for producing medicaments SCHERING AG (DE) 2001-03-07 CN 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 (2 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 TAAR1 2410/4885GPR84 3850/4885KDM4E 4195/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 TAAR1 2809/4885GPR84 2884/4885KDM4E 3155/4885

“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.