SCHEMBL4056882

SCHEMBL4056882

CC(C)c1ccccc1C([NH])=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
TSHR P16473 2/20 0.44
SLC6A2 P23975 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL6864306 0.84 GABRA1 (0.43) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL1148330 0.81 GABRA1 (0.52) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL9864537 0.81 GABRA1 (0.52) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL29567244 0.79 GABRA1 (0.50) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL1635308 0.79 GABRA1 (0.50) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL29657201 0.79 ALDH1A1 (0.59) GABRA1GABRB2LMNAGABRB1GABRG2
Hydrogen Peroxide SCHEMBL9514730 0.79 ALDH1A1 (0.59) GABRA1GABRB2LMNAGABRB1GABRG2
Benzene SCHEMBL28132022 0.79 ALDH1A1 (0.59) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL254364 0.79 ALDH1A1 (0.59) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL731381 0.78 TSHR (0.42) LMNATSHRCYP3A4KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856083-A4 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF UNIV MICHIGAN (US) 2009-05-27 EP disclosed
EP-1856083-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP disclosed
US-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-11-02 US disclosed
WO-2006099193-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 WO disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 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-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof BCL2, BAD, BAX GABRA1 3836/4885GABRB2 2425/4885LMNA 1444/4885

“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.