SCHEMBL2847799

SCHEMBL2847799

Cc1ccc(C(C)Cc2cc[c]cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
ACHE P22303 2/20 0.41
STAT3 P40763 1/20 0.38
GRIA4 P48058 1/20 0.36
CHRNA7 P36544 1/20 0.33
ALOX5AP P20292 1/20 0.33
HCRTR2 O43614 3/20 0.32
BCHE P06276 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.32
IDO1 P14902 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL6547203 0.86 ESR1 (0.65) ESR1ESR2ACHESTAT3GRIA4
SCHEMBL29105134 0.83 ESR1 (0.75) ESR1ESR2
SCHEMBL8478139 0.82 SLC6A2 (0.37) ESR1ESR2ACHECHRNA7SMN1; SMN2
SCHEMBL68592 0.82 ESR1 (0.47) ESR1ESR2
SCHEMBL28468636 0.80 IDO1 (0.38) ACHEHCRTR2SMN1; SMN2IDO1ACACB
SCHEMBL5313594 0.80 ESR1 (0.53) ESR1ESR2ACHESMN1; SMN2
SCHEMBL6546983 0.78 ESR1 (0.57) ESR1ESR2ACHESTAT3GRIA4
Ammonia Solution, Strong SCHEMBL5308343 0.78 ESR1 (0.52) ESR1ESR2ACHESMN1; SMN2
SCHEMBL28859481 0.78 ESR1 (0.47) ESR1ESR2
SCHEMBL6546854 0.78 ESR1 (0.57) ESR1ESR2ACHESTAT3GRIA4

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 18 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
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 EP 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-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2118101-B1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-26 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US disclosed
EP-2118101-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-11-18 EP disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
WO-2008110523-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-18 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 (5 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 ESR1 3228/4885ESR2 2246/4885ACHE 83/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ESR1 3369/4885ESR2 2524/4885ACHE 133/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ESR1 3401/4885ESR2 2813/4885ACHE 159/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 ESR1 2083/4885ESR2 2021/4885ACHE 44/4885
US-20080234313-A1 NOVEL INHIBITORS SF3A1, HBS1L, SF3A3 ESR1 2279/4885ESR2 3343/4885ACHE 3099/4885

“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.