SCHEMBL910708

SCHEMBL910708

CCc1ccc(C[C]=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
CA2 P00918 1/20 0.43
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MGLL Q99685 2/20 0.40
PLK1 P53350 1/20 0.40
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 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
SCHEMBL11139354 0.86 CYP3A4 (0.42) ALDH1A1TP53SMN1; SMN2HPGDTSHR
SCHEMBL910966 0.80 CA2 (0.47) TAAR1ALDH1A1CA2LPLLIPG
SCHEMBL1610874 0.79 CYP2A6 (0.46) TAAR1CYP2A6ALDH1A1TP53CA2
SCHEMBL98942 0.79 CYP2A6 (0.48) TAAR1CYP2A6TP53CA2SMN1; SMN2
SCHEMBL18427888 0.78 HRH3 (0.41) TAAR1CA2LMNATSHR
SCHEMBL10589081 0.78 CYP2A6 (0.50) TAAR1CYP2A6ALDH1A1TP53CA2
SCHEMBL3348229 0.78 CYP2A6 (0.50) TAAR1CYP2A6ALDH1A1TP53CA2
SCHEMBL910289 0.77 MGLL (0.43) CYP2A6ALDH1A1TP53MGLLSMN1; SMN2
SCHEMBL5256978 0.77 BACE1 (0.40) TAAR1CYP2A6ALDH1A1SMN1; SMN2LMNA
SCHEMBL36295 0.76 TP53 (0.67) TAAR1CYP2A6ALDH1A1TP53CA2

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
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
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
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US 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
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
WO-2003066561-A1 NOVEL 3-ARYL-2,5-DIHYDROXY-1,4-BENZOQUINONE DERIVATIVES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2003-08-14 WO disclosed
WO-1998018764-A1 DIHYDROBENZOANTHRACENONE, -PYRIMIDINONE OR DIHYDRONAPHTOQUINOLINONE MERCK PATENT GMBH (DE) 1998-05-07 WO disclosed
WO-1997044333-A1 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1997-11-27 WO disclosed
EP-0132394-B1 IMPROVEMENTS IN OR RELATING TO THE PREPARATION OF 3-EXOMETHYLENE CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1988-10-12 EP disclosed
EP-0244195-A1 2-Vinylpenams and process THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1987-11-04 EP disclosed
US-4558123-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1985-12-10 US disclosed
EP-0132394-A1 Improvements in or relating to the preparation of 3-exomethylene cephalosporins ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 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 (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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC TAAR1 4703/4885CYP2A6 4487/4885ALDH1A1 4861/4885

“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.