SCHEMBL3785534

SCHEMBL3785534

Cc1ccc([C]=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL5962213 0.78 CYP2A6 (0.39) ALDH1A1GAACYP1A2CYP2A6NPC1
SCHEMBL7022727 0.77 ALDH1A1 (0.36) ALDH1A1LMNATRPV4MEN1KMT2A
SCHEMBL25051645 0.77 GABRA1 (0.38) ACACBGABRA1GABRG2GABRB3GABRB2
SCHEMBL410587 0.77 TRPV4 (0.57) GABRA1GABRG2GABRB3GABRB2HPGD
SCHEMBL98000 0.76 TDP1 (0.42) ALDH1A1GAARAB9ACYP1A2CYP2A6
SCHEMBL95434 0.76 TP53 (0.48) KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL102884 0.74 TRPV4 (0.34) TRPV4
SCHEMBL28296077 0.74 FSCN1 (0.43) GABRA1GABRG2GABRB3GABRB2ALDH1A1
SCHEMBL11110756 0.73 RAB9A (0.38) HPGDALDH1A1GAARAB9ACYP1A2
SCHEMBL96822 0.73 CYP11B2 (0.36) HPGDALDH1A1GAATRPV4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US disclosed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN disclosed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US disclosed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN disclosed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP disclosed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed
US-3991008-A METHACRYLATE MONOMER, HYDROPEROXIDE OXIDIZER, THIOUREA REDUCING AGENT THE KENDALL COMPANY (US) 1976-11-09 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 (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-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ACACB 1333/4885GABRA1 264/4885GABRG2 481/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ACACB 1333/4885GABRA1 264/4885GABRG2 481/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ACACB 4328/4885GABRA1 3239/4885GABRG2 3209/4885

“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.