SCHEMBL855461

SCHEMBL855461

CC1(C(=O)CBr)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MME P08473 2/20 0.35
NOTUM Q6P988 1/20 0.34
MMP8 P22894 1/20 0.34
HPGDS O60760 1/20 0.33

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
SCHEMBL9528035 0.78 PTPN1 (0.38) ALDH1A1PTPN1GSK3BHDAC9MME
SCHEMBL30645250 0.78 MME (0.40) BRD4ALDH1A1PTPN1GSK3BHDAC9
SCHEMBL856751 0.78 MME (0.40) BRD4ALDH1A1PTPN1GSK3BHDAC9
SCHEMBL8114506 0.75 NOTUM (0.43) BRD4ALDH1A1HDAC9POLBL3MBTL1
SCHEMBL1786936 0.75 HDAC9 (0.44) BRD4HDAC9POLBL3MBTL1MME
SCHEMBL1470334 0.74 MEN1 (0.47) BRD4ALDH1A1HDAC9POLBL3MBTL1
SCHEMBL9526787 0.74 BRD4 (0.41) BRD4ALDH1A1HDAC9POLBL3MBTL1
Hydrochloric Acid SCHEMBL9526798 0.74 HDAC9 (0.43) BRD4HDAC9POLBL3MBTL1MME
SCHEMBL2055554 0.74 BRD4 (0.41) BRD4ALDH1A1HDAC9POLBL3MBTL1
SCHEMBL856404 0.73 PTPN1 (0.33) ALDH1A1PTPN1GSK3BHDAC9MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431717-B2 Process for the preparation of 5-(2-ethyl-dihydro-1H-inden-2-yl)-1H-imidazole and salts thereof JSC GRINDEKS (LV) 2013-04-30 US disclosed
EP-2225209-B1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS JSC (LV) 2012-03-28 EP disclosed
US-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF JSC GRINDEKS (LV) 2011-02-03 US disclosed
EP-2225209-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF Grindeks, a joint stock company (LV) 2010-09-08 EP disclosed
WO-2009071584-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-06-11 WO disclosed
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 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-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF CYP3A5, CYP3A4, IPO5 BRD4 1164/4885ALDH1A1 190/4885PTPN1 3792/4885

“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.