SCHEMBL1815162

SCHEMBL1815162

O=Cc1ccc(C#Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.73
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TYR P14679 1/20 0.41
CYP2A6 P11509 3/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
GRM5 P41594 1/20 0.39
CYP1A2 P05177 1/20 0.39
EGFR P00533 1/20 0.38
FFAR1 O14842 1/20 0.37
AHR P35869 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL30635304 0.88 CYP2A6 (0.50) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL30635286 0.88 CYP2A6 (0.50) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL8384841 0.88 CYP2A6 (0.50) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL1919 0.85
SCHEMBL8995751 0.83 HSD17B10 (0.94) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL28981622 0.83 HSD17B10 (0.94) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL31544783 0.83 HSD17B10 (0.94) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
Hydrochloric Acid SCHEMBL5255687 0.83 HSD17B10 (0.94) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
SCHEMBL29395469 0.81 ALDH5A1 (0.50) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1
Ethane SCHEMBL2154693 0.80 HSD17B10 (0.89) HSD17B10ALDH1A1TYRCYP2A6ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US claimed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US claimed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP claimed
CN-1997638-B 1,1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP1-B inhibitors APPLIED RESEARCH SYSTEMS 2011-07-06 CN disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 CN disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 WO disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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 (3 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK HSD17B10 535/4885KCNH2 7/4885ALDH1A1 200/4885
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 HSD17B10 95/4885KCNH2 2371/4885ALDH1A1 378/4885
US-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS HSD17B10 80/4885KCNH2 597/4885ALDH1A1 1454/4885

“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.