SCHEMBL476341

SCHEMBL476341

[c]1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
SETD7 Q8WTS6 1/20 0.41
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CYP2A6 P11509 1/20 0.38
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTAFR P25105 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
CYP19A1 P11511 2/20 0.34

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
SCHEMBL134194 0.89
SCHEMBL8162675 0.88 CES1 (0.61) CES1MAOBMAOACYP2A6L3MBTL1
SCHEMBL4312831 0.87 CES1 (0.46) CES1SETD7SRD5A1SRD5A2MAOB
SCHEMBL24657 0.83 MAOA (0.46) CES1SRD5A2MAOBMAOANPC1
SCHEMBL4824206 0.80
Dihydrophenanthrene SCHEMBL30297028 0.78 CES1 (0.68) CES1SETD7SRD5A1SRD5A2MAOB
Dihydrophenanthrene SCHEMBL155991 0.78 CES1 (0.68) CES1SETD7SRD5A1SRD5A2MAOB
Dihydrophenanthrene SCHEMBL29404495 0.78 CES1 (0.68) CES1SETD7SRD5A1SRD5A2MAOB
SCHEMBL8911202 0.78 CA12 (0.38) MAOBMAOAPARP1
SCHEMBL8174906 0.76 CES1 (0.61) CES1MAOBMAOACYP2A6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113109960-A Horizontal alignment liquid crystal display element, liquid crystal composition, display device, and method for manufacturing horizontal alignment liquid crystal display element 捷恩智株式会社 2021-07-13 CN claimed
CN-112538358-A Horizontal alignment liquid crystal display element, liquid crystal composition, display device, and method for manufacturing horizontal alignment liquid crystal display element 捷恩智株式会社 2021-03-23 CN claimed
EP-1334117-B1 ANTIBACTERIAL AGENTS COMPRISING CONJUGATES OF GLYCOPEPTIDES AND PEPTIDIC MEMBRANE-ASSOCIATING ELEMENTS CAMBRIDGE ENTPR LTD (GB) 2012-02-01 EP claimed
US-7078380-B2 Antibacterial agents comprising conjugates of glycopeptides and peptidic membrane associating elements CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-07-18 US claimed
US-20040106544-A1 Antibacterial agents comprising conjugates of glycopeptides and peptidic membrane associating elements CAMBRIDGE ENTERPRISE LTD. (GB) 2004-06-03 US claimed
EP-1334117-A1 ANTIBACTERIAL AGENTS COMPRISING CONJUGATES OF GLYCOPEPTIDES AND PEPTIDIC MEMBRANE-ASSOCIATING ELEMENTS Cambridge University Technical Services Limited (GB) 2003-08-13 EP claimed
WO-2002036612-A1 ANTIBACTERIAL AGENTS COMPRISING CONJUGATES OF GLYCOPEPTIDES AND PEPTIDIC MEMBRANE-ASSOCIATING ELEMENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2002-05-10 WO claimed
EP-0816378-B1 Glycopeptide antibiotic amide derivatives LILLY CO ELI (US) 2002-04-10 EP claimed
US-5919756-A CHLORORIENTICIN A ANTIBIOTIC ELI LILLY AND COMPANY (US) 1999-07-06 US claimed
WO-1998000153-A1 AMIDES ELI LILLY AND COMPANY (US) 1998-01-08 WO claimed
EP-0816378-A1 Glycopeptide antibiotic amide derivatives ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed
EP-0194764-B1 PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-07-12 EP claimed
EP-0194764-A1 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-09-17 EP claimed
CN-113109960-A Horizontal alignment liquid crystal display element, liquid crystal composition, display device, and method for manufacturing horizontal alignment liquid crystal display element 捷恩智株式会社 2021-07-13 CN disclosed
CN-112538358-A Horizontal alignment liquid crystal display element, liquid crystal composition, display device, and method for manufacturing horizontal alignment liquid crystal display element 捷恩智株式会社 2021-03-23 CN disclosed
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
WO-1998000153-A1 AMIDES ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
EP-0816378-A1 Glycopeptide antibiotic amide derivatives ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0702015-B1 Bicyclic oxazole and thiazole substituted ethers CIBA GEIGY AG (CH) 1997-09-24 EP disclosed
EP-0702015-A1 Bicyclic oxazole and thiazole substituted ethers SANDOZ LTD. (CH) 1996-03-20 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-20040106544-A1 Antibacterial agents comprising conjugates of glycopeptides and peptidic membrane associating elements VMA21, VIP, MLX CES1 3897/4885SETD7 4535/4885SRD5A1 4696/4885

“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.