SCHEMBL2646596

SCHEMBL2646596

Br[Mg]C1CCCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11148671 1.00 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL120534 1.00
SCHEMBL11144949 1.00 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL1600341 1.00
Water SCHEMBL10976746 0.97
SCHEMBL6064 0.96
Water SCHEMBL2062906 0.93
SCHEMBL176950 0.89
SCHEMBL7766444 0.82
SCHEMBL12001 0.81

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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed
US-4611071-A Metal alkyl process ETHYL CORPORATION (US) 1986-09-09 US disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C ALDH1A1 360/4885HSD17B10 1467/4885

“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.