SCHEMBL5363004

SCHEMBL5363004

CC(C)c1cc(C=O)cc(C(C)C)c1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.62
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3919086 0.82 MAOA (0.52) GLRA1MAOAMAOBRAB9ALMNA
SCHEMBL146577 0.80 MAOA (0.55) MAOAMAOBRAB9ALMNAHPGD
SCHEMBL31419968 0.80 GLRA1 (0.62) GLRA1MAOBRAB9ALMNAHPGD
SCHEMBL27620050 0.79 MAOA (0.52) GLRA1MAOAMAOBRAB9ALMNA
SCHEMBL16860678 0.79 GLRA1 (0.79) GLRA1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL28078446 0.79 GLRA1 (0.60) GLRA1MAOBLMNAHPGDALDH1A1
SCHEMBL9261857 0.78 GLRA1 (0.53) GLRA1MAOAMAOBLMNAHPGD
SCHEMBL6035907 0.78 GLRA1 (0.50) GLRA1MAOAMAOBL3MBTL1CCNB2
SCHEMBL28060083 0.78 GLRA1 (0.53) GLRA1MAOAMAOBLMNAHPGD
SCHEMBL4045055 0.78 MAOA (0.57) MAOAMAOBRAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62029570-A None JP disclosed
CN-105849088-B Pharmacologically active compounds 利物浦大学 2020-07-03 CN disclosed
EP-3421450-B1 PHARMACOLOGICALLY ACTIVE COMPOUNDS UNIV LIVERPOOL (GB) 2020-02-05 EP disclosed
US-10442814-B2 Pharmacologically active compounds UNIVERSITY OF LIVERPOOL (GB) 2019-10-15 US disclosed
US-10442814-B2 Pharmacologically active compounds UNIVERSITY OF LIVERPOOL (GB) 2019-10-15 US disclosed
US-20190084993-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2019-03-21 US disclosed
US-20190084993-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2019-03-21 US disclosed
EP-3421450-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS The University Of Liverpool (GB) 2019-01-02 EP disclosed
EP-3421450-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS The University Of Liverpool (GB) 2019-01-02 EP disclosed
EP-3087055-B1 PHARMACOLOGICALLY ACTIVE COMPOUNDS UNIV LIVERPOOL (GB) 2018-08-29 EP disclosed
US-20160318947-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2016-11-03 US disclosed
US-20160318947-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2016-11-03 US disclosed
EP-3087055-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS The University of Liverpool (GB) 2016-11-02 EP disclosed
WO-2015097475-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-07-02 WO disclosed
WO-2015097475-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-07-02 WO disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 US disclosed
JP-S6229570-A 3,5-DIISOPROPYLBENZYLIDENE HETEROCYCLIC COMPOUND KANEGAFUCHI CHEM IND CO LTD 1987-02-07 JP 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 (4 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-10442814-B2 Pharmacologically active compounds GRIN1, OPRL1, OPRK1 GLRA1 13/4885MAOA 1380/4885MAOB 1392/4885
US-20190084993-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS GRIN1, OPRL1, OPRK1 GLRA1 13/4885MAOA 1380/4885MAOB 1392/4885
US-20160318947-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS GRIN1, OPRL1, OPRK1 GLRA1 13/4885MAOA 1380/4885MAOB 1392/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK GLRA1 4463/4885MAOA 1231/4885MAOB 867/4885

“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.