SCHEMBL1399047

SCHEMBL1399047

C=CCOC(=O)c1ccccc1CBr

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.72
ALDH1A1 P00352 4/20 0.62
TSHR P16473 4/20 0.62
HSD17B10 Q99714 1/20 0.62
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
RHOA P61586 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
LIG1 P18858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL15485816 0.85 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL9421944 0.85 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL7878156 0.85 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL851234 0.85 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL15174 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL27474785 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL16371573 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL29362146 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10RHOA
SCHEMBL7563230 0.84 CYP3A4 (0.72) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL11384198 0.84 CYP3A4 (0.72) CYP3A4ALDH1A1TSHRHSD17B10ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006021974-A1 A PROCESS FOR SYNTHESIZING DIOL (VIII)-AN INTERMEDIATE OF MONTELUKAST SODIUM MOREPEN LABORATORIES LIMITED (IN) 2006-03-02 WO claimed
EP-0069810-B1 NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS MERCK & CO. INC. (US) 1986-12-03 EP claimed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-0925294-B3 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2018-07-04 EP disclosed
US-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS CELGENE CORPORATION 2016-04-07 US disclosed
EP-2859895-A1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORPORATION (US) 2015-04-15 EP disclosed
EP-2305663-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORP (US) 2014-12-17 EP disclosed
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2014-07-03 US disclosed
US-20140114067-A1 BENZIMIDAZOLE DERIVATIVES AS MITOCHONDRIAL FUNCTION MODULATORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-04-24 US disclosed
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2013-01-31 US disclosed
US-5525602-A TREATING INFLAMMATORY DISEASES, PREVENTING ALLOGRAFT REJECTION, AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1996-06-11 US disclosed
US-5512568-A FOR TREATING A MAMMAL HAVING A DISEASE STATE THAT IS ALLEVIATED BY TREATMENT WITH AN INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE INHIBITOR SYNTEX (U.S.A.) INC. (US) 1996-04-30 US disclosed
US-5493030-A CHEMICAL INTERMEDIATES SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed
WO-1995022538-A1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1995022534-A1 4-AMINO 6-SUBSTITUTED MYCOPHENOLIC ACID AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1995022536-A1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1995022537-A2 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
US-5444072-A Useful in treatment of autoimmune disorders, psoriasis, inflammatory diseases, rheumatoid arthritis SYNTEX (U.S.A.) INC. (US) 1995-08-22 US disclosed
US-5053413-A Antiarrhythmia agent G. D. SEARLE & CO. (US) 1991-10-01 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 (5 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-20140114067-A1 BENZIMIDAZOLE DERIVATIVES AS MITOCHONDRIAL FUNCTION MODULATORS NLN, TFAM, NDUFAB1 CYP3A4 334/4885ALDH1A1 1199/4885TSHR 4587/4885
US-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS TNF, NFKBIA, TRAF2 CYP3A4 2977/4885ALDH1A1 1232/4885TSHR 3262/4885
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 CYP3A4 2977/4885ALDH1A1 1232/4885TSHR 3262/4885
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 CYP3A4 2769/4885ALDH1A1 1344/4885TSHR 3138/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP3A4 3633/4885ALDH1A1 4472/4885TSHR 2791/4885

“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.