SCHEMBL856417

SCHEMBL856417

CCOC(=O)C(OCC)C(=O)[O-].CCOC(C(=O)[O-])C(=O)O.[Mg+2]

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PPARA Q07869 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7835353 0.92 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL3908512 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL6028711 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL9770041 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL10502342 0.80 CYP1A2 (0.35) ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL2148474 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10PIN1ALOX15
Potassium Ion SCHEMBL8993919 0.77 SOAT1 (0.32) ALDH1A1SOAT1CYP3A4TSHRNFKB1
SCHEMBL9110564 0.77 CYP3A4 (0.33) ALDH1A1SOAT1CYP3A4TSHRNFKB1
SCHEMBL7432060 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL6208557 0.76 THRB (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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 11 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
CN-101889003-A Process for the preparation of 5-(2-ethyl-dihydro-1h-inden-2-yl)-1h-imidazole and salts thereof GRINDEKS JSC 2010-11-17 CN 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 ALDH1A1 190/4885LMNA 3506/4885HSD17B10 848/4885

“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.