SCHEMBL49163

SCHEMBL49163

C(#Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
MAPT P10636 2/20 0.50
GRM5 P41594 7/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 3/20 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
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
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.43
THPO P40225 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL11883827 0.88 APP (0.44) APPMAPTGRM5
SCHEMBL21858022 0.85 CYP1A2 (0.56) APPMAPTGRM5CYP1A2CYP3A4
SCHEMBL5184857 0.85 APP (0.55) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL28323591 0.82 APP (0.86) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL68254 0.82 APP (1.00) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL960609 0.82 APP (1.00) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL29188592 0.82 APP (1.00) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL23754282 0.78 APP (0.92) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL9273707 0.78 APP (0.92) APPMAPTGRM5TSHRCYP1A2
Diphenylacetylene SCHEMBL5576302 0.78 APP (0.92) APPMAPTGRM5TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724769-B Method for synthesizing fluorine-containing phenylethynyl phenyl propionitrile liquid crystal compound 西安瑞联新材料股份有限公司 2024-05-03 CN claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
CN-115724769-A Synthetic method of fluorine-containing phenylethynyl phenyl propinonanitrile liquid crystal compound 西安瑞联新材料股份有限公司 2023-03-03 CN claimed
CN-109476704-B Antibacterial cyclic lipopeptides 港大科桥有限公司 2022-08-16 CN claimed
CN-109111416-B Diether dianhydride monomer with phenylethynyl-containing side group and preparation method and application thereof 吉林大学 2022-03-29 CN claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
US-10647746-B2 Antibacterial cyclic lipopeptides VERSITECH LIMITED (HK) 2020-05-12 US claimed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO claimed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP claimed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US claimed
WO-2003057749-A1 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO claimed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 WO claimed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US claimed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-5674635-A Electroluminescent device XEROX CORPORATION (US) 1997-10-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 APP 3065/4885MAPT 4484/4885GRM5 2617/4885
US-10647746-B2 Antibacterial cyclic lipopeptides NRDC, NGLY1, LNPEP APP 2250/4885MAPT 4728/4885GRM5 3359/4885
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP APP 1/4885MAPT 17/4885GRM5 1800/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R APP 3100/4885MAPT 4486/4885GRM5 2703/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP APP 1/4885MAPT 17/4885GRM5 1800/4885

“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.