SCHEMBL4611297

SCHEMBL4611297

COc1ccc(C(=O)C2(Br)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL28669997 0.81 CES2 (0.52) CES2CES1CA1CA2MAPT
SCHEMBL14040096 0.81 CES2 (0.52) CES2CES1CA1CA2MAPT
SCHEMBL1553747 0.81 HPGD (0.38) GSK3BMAPTALDH1A1HPGDMEN1
SCHEMBL10384839 0.79 CES2 (0.50) CES2CES1CA1CA2MAPT
SCHEMBL14040099 0.79 CES2 (0.50) CES2CES1CA1CA2MAPT
SCHEMBL18360301 0.79 CES2 (0.57) CES2CES1ALDH1A1L3MBTL1MEN1
SCHEMBL1446377 0.78 AKR1C1 (0.42) GSK3BCES2CES1ALDH1A1HPGD
SCHEMBL10458558 0.78 CES2 (0.48) CES2CES1CA1CA2MAPT
SCHEMBL726159 0.78 MEN1 (0.46) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27265767 0.77 HTT (0.41) CA1CA2ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP claimed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 US claimed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 US claimed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 EP claimed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP disclosed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP disclosed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 US disclosed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 US disclosed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 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-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent CYP3A4, CYP4X1, CYP2F1 GSK3B 580/4885CES2 261/4885CES1 590/4885

“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.