SCHEMBL1446377

SCHEMBL1446377

O=C(c1ccccc1)C1(Br)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
HDAC4 P56524 2/20 0.41
KMT2A Q03164 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4209794 0.98 AKR1C1 (0.44) AKR1C1PTPN1GSK3BHPGDLMNA
SCHEMBL28139686 0.80 AKR1C1 (0.42) AKR1C1HPGDLMNAHDAC4KMT2A
SCHEMBL29155399 0.79 AKR1C1 (0.45) AKR1C1HPGDLMNAHDAC4KMT2A
SCHEMBL8529984 0.79 AKR1C1 (0.45) AKR1C1HPGDLMNAHDAC4KMT2A
SCHEMBL3678905 0.78 OPRM1 (0.33) HDAC4
SCHEMBL4611297 0.78 GSK3B (0.51) GSK3BHPGDLMNAKMT2ACES2
SCHEMBL4117188 0.78 KEAP1 (0.35) HPGDLMNAKMT2AALDH1A1
SCHEMBL64920 0.78 AKR1C1 (0.44) AKR1C1LMNAHDAC4CES2CES1
Benzene SCHEMBL29067363 0.78 HDAC4 (0.46) AKR1C1HPGDLMNAHDAC4KMT2A
SCHEMBL6695613 0.78 HDAC4 (0.46) AKR1C1HPGDLMNAHDAC4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503343-B Preparation method of photoinitiator 184 常州久日化学有限公司 2022-07-12 CN disclosed
EP-2297076-A1 PROCESS FOR THE PREPARATION OF AROMATIC ALPHA-HYDROXY KETONES Lamberti SpA (IT) 2011-03-23 EP disclosed
US-20110065962-A1 PROCESS FOR THE PREPARATION OF AROMATIC ALPHA-HYDROXY KETONES MENEGUZZO ENZO 2011-03-17 US disclosed
WO-2009135895-A1 PROCESS FOR THE PREPARATION OF AROMATIC ALPHA-HYDROXY KETONES LAMBERTI SPA (IT) 2009-11-12 WO disclosed
EP-1280779-B1 NEW POLYCYCLIC INDANYLIMIDAZOLES WITH ALPHA2 ADRENERGIC ACTIVITY ORION CORP (FI) 2005-08-24 EP disclosed
EP-1280779-A1 NEW POLYCYCLIC INDANYLIMIDAZOLES WITH ALPHA2 ADRENERGIC ACTIVITY ORION CORPORATION (FI) 2003-02-05 EP disclosed
US-6362211-B2 FOR THERAPY OF NEUROLOGICAL, PSYCHIATRIC OR COGNITION DISORDER, DIABETES, LIPOLYTIC DISORDER, ORTHOSTATIC HYPOTENSION, OR SEXUAL DYSFUNCTION ORION CORPORATION (FI) 2002-03-26 US disclosed
US-20020013356-A1 New polycyclic indanylimidazoles with alpha2 adrenergic activity ORION CORPORATION (FI) 2002-01-31 US disclosed
WO-2001085698-A1 NEW POLYCYCLIC INDANYLIMIDAZOLES WITH ALPHA2 ADRENERGIC ACTIVITY ORION CORPORATION (FI) 2001-11-15 WO disclosed
EP-0094347-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYKETONES CIBA-GEIGY AG (CH) 1985-07-10 EP disclosed
EP-0094347-A1 Process for the preparation of 1-hydroxyketones CIBA-GEIGY AG (CH) 1983-11-16 EP disclosed
US-4328356-A Process for preparing esters of arylacetic acids from alpha-halo-alkylarylketones MONTEDISON S.P.A. (IT) 1982-05-04 US disclosed
US-4012524-A DIURETICS, SALURETICS, HYPOURICEMICS, HYPOTENSIVES, ANTIEDEMICS MERCK & CO., INC. (US) 1977-03-15 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-20110065962-A1 PROCESS FOR THE PREPARATION OF AROMATIC ALPHA-HYDROXY KETONES KHK, BCKDK, PAH AKR1C1 46/4885PTPN1 4423/4885GSK3B 2042/4885
US-20020013356-A1 New polycyclic indanylimidazoles with alpha2 adrenergic activity ADRB2, ADRB1, ADRA1A AKR1C1 594/4885PTPN1 3877/4885GSK3B 1510/4885

“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.