SCHEMBL436669

SCHEMBL436669

Cc1ccc2c(c1)OCCC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
QPCT Q16769 1/20 0.37

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
SCHEMBL25763033 0.94 KCNH2 (0.48) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL30236532 0.88 ALDH1A1 (0.44) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL257337 0.88 ALDH1A1 (0.44) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL22681770 0.85 KCNH2 (0.48) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL29941381 0.84 ALDH1A1 (0.50) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL172501 0.84 ALDH1A1 (0.50) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL22681574 0.81 KCNH2 (0.43) KCNH2GAACTNNB1WNT3A
SCHEMBL22681824 0.80 KCNH2 (0.50) KCNH2CTNNB1WNT3AHTR1DHTR2C
SCHEMBL11926939 0.78 ALDH1A1 (0.49) KCNH2ALDH1A1GAAMAPTHSD17B10
SCHEMBL12526764 0.78 KCNH2 (0.38) KCNH2CTNNB1WNT3AHTR1DHTR2C

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US claimed
US-7169775-B2 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-01-30 US claimed
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN claimed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP claimed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US claimed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed
EP-3582783-B1 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2023-06-07 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US disclosed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO 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 (4 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-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators C5AR1, C5AR2, C3AR1 KCNH2 1404/4885ALDH1A1 3627/4885GAA 4885/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 KCNH2 3554/4885ALDH1A1 2679/4885GAA 3404/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR KCNH2 1623/4885ALDH1A1 4757/4885GAA 2162/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 KCNH2 3272/4885ALDH1A1 809/4885GAA 3693/4885

“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.