SCHEMBL4946113

SCHEMBL4946113

[CH2]c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
MAPT P10636 2/20 0.56
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GRM5 P41594 3/20 0.46
FFAR1 O14842 4/20 0.45
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2114741 0.85 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL960609 0.82 APP (1.00) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL29188592 0.82 APP (1.00) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL68254 0.82 APP (1.00) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL23754282 0.78 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL9273707 0.78 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL28768551 0.78 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL28966277 0.78 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL31243352 0.78 APP (0.92) APPMAPTCA12CA1CA2
Diphenylacetylene SCHEMBL5576302 0.78 APP (0.92) APPMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383934-B Preparation and application method of spiral chiral all-cis poly 3, 5-dihydroxymethyl-4-substituted phenylacetylene derivative without chiral atoms 哈尔滨工程大学 2020-04-07 CN disclosed
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
US-7465755-B2 Hydrazide derivatives as prostaglandin receptors modulators LABORATOIRES SERONO SA (CH) 2008-12-16 US disclosed
US-20070185191-A1 Hydrazide derivatives as prostaglandin receptors modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
EP-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 APP 3274/4885MAPT 4049/4885CA12 1364/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS APP 4524/4885MAPT 4344/4885CA12 1118/4885
US-20070185191-A1 Hydrazide derivatives as prostaglandin receptors modulators PTGIR, HPGDS, PGF APP 3789/4885MAPT 4532/4885CA12 4072/4885
US-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 APP 4330/4885MAPT 3697/4885CA12 3377/4885

“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.