SCHEMBL2844467

SCHEMBL2844467

Cc1ccc(C(C)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CNR2 P34972 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SLC6A4 P31645 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.42
ACHE P22303 2/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40

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 0.90 ESR1 (0.65) ESR1ESR2ACHEBCHESMN1; SMN2
SCHEMBL4745388 0.83 ESR1 (0.81) ESR1ESR2SLC6A2SLC6A3MEN1
SCHEMBL6546983 0.82 ESR1 (0.57) ESR1ESR2L3MBTL1ACHEBCHE
SCHEMBL6546854 0.82 ESR1 (0.57) ESR1ESR2L3MBTL1ACHEBCHE
SCHEMBL4603712 0.82 SLC6A2 (0.53) ESR1ESR2SLC6A2SLC6A3CNR2
SCHEMBL4603704 0.82 SLC6A2 (0.53) ESR1ESR2SLC6A2SLC6A3CNR2
SCHEMBL29758290 0.82 ESR1 (0.52) ESR1ESR2SLC6A2SLC6A3CNR2
SCHEMBL20169678 0.82 ADRB2 (0.46) SLC6A3CNR2SLC6A4MEN1KMT2A
SCHEMBL21699675 0.81 ESR1 (0.55) ESR1ESR2ADRB2ACHEPOLB
SCHEMBL1841040 0.81 ESR1 (0.85) ESR1ESR2SLC6A2MEN1KMT2A

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 6 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

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 ESR1 3228/4885ESR2 2246/4885SLC6A2 4820/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 ESR1 2083/4885ESR2 2021/4885SLC6A2 4818/4885

“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.