SCHEMBL816707

SCHEMBL816707

Cc1c(C)c(C)c(C(=O)Cl)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2154609 0.97 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4163347 0.90 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL28771911 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1312119 0.77 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL14156178 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8099706 0.75 ALDH1A1 (0.36) ALDH1A1KDM4ETSHR
SCHEMBL965776 0.74 POLB (0.35) ALDH1A1KDM4ETSHR
SCHEMBL8913308 0.73 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL1311698 0.73 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL14156046 0.73 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288652-B1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO KG (DE) 2012-09-19 EP claimed
US-20110272628-A1 Preparation For Initiating Radical Reactions UNITED INITIATORS GMBH (DE) 2011-11-10 US claimed
EP-2288652-A1 PREPARATION FOR INITIATING RADICAL REACTIONS United Initiators GmbH & Co. KG (DE) 2011-03-02 EP claimed
WO-2009146916-A1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO. KG (DE) 2009-12-10 WO claimed
EP-2130858-A1 Preparations to initiate radical reactions Degussa Initiators GmbH & Co. KG (DE) 2009-12-09 EP claimed
US-20180208566-A1 Deuterated Meclizine CONCERT PHARMACEUTICALS, INC. 2018-07-26 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-03-15 US disclosed
US-9790184-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-9765078-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170107174-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES UNIVERSITE DE LILLE (FR) 2017-04-20 US disclosed
US-20160185782-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (11 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 ALDH1A1 3117/4885KDM4E 1943/4885TSHR 1107/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB ALDH1A1 3815/4885KDM4E 774/4885TSHR 4809/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI ALDH1A1 4330/4885KDM4E 4805/4885TSHR 594/4885
US-20170107174-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES MAPT, PSEN2, SNCA ALDH1A1 1189/4885KDM4E 4092/4885TSHR 4804/4885
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1955/4885KDM4E 353/4885TSHR 4164/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885KDM4E 774/4885TSHR 4809/4885
US-20180208566-A1 Deuterated Meclizine FGFR3, FGFR1, FGFR2 ALDH1A1 2118/4885KDM4E 3313/4885TSHR 461/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885KDM4E 774/4885TSHR 4809/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 ALDH1A1 2925/4885KDM4E 4460/4885TSHR 754/4885
US-20160185782-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885KDM4E 774/4885TSHR 4809/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 ALDH1A1 3874/4885KDM4E 3873/4885TSHR 1047/4885

“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.