SCHEMBL3645563

SCHEMBL3645563

CC(C)(C)Cc1cccc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
UNG P13051 1/20 0.41
CYP2A6 P11509 1/20 0.39
ESR1 P03372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SRC P12931 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL25949907 0.87 SLC6A2 (0.52) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL2636655 0.87 MAOA (0.42) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL13509648 0.85 MAOA (0.41) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL30954279 0.84 MAOA (0.41) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL6841543 0.84 ALDH1A1 (0.41) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL17103230 0.83 MAOA (0.42) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL7141602 0.82 MAOA (0.45) MAOAMAOBALDH1A1NPC1RAB9A
Ethylene SCHEMBL3648042 0.82 MAOA (0.38) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL910179 0.80 MAOA (0.46) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL291613 0.79 MAOA (0.49) MAOAMAOBALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-08-22 US disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
EP-2926660-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-10-07 EP disclosed
EP-2923574-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
EP-2923573-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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 (7 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-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 MAOA 3071/4885MAOB 1743/4885ALDH1A1 2855/4885
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B MAOA 2460/4885MAOB 1170/4885ALDH1A1 775/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 MAOA 1602/4885MAOB 723/4885ALDH1A1 1702/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP MAOA 618/4885MAOB 165/4885ALDH1A1 2720/4885
US-20190255055-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF ALDH2, ALDH1A1, ALDH3A1 MAOA 1254/4885MAOB 1003/4885ALDH1A1 2/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 MAOA 2194/4885MAOB 1035/4885ALDH1A1 727/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 MAOA 95/4885MAOB 204/4885ALDH1A1 653/4885

“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.