SCHEMBL4084338

SCHEMBL4084338

COC(=O)C=Cc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
APP P05067 1/20 0.58
PTPN1 P18031 1/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
MMP1 P03956 3/20 0.55
MMP2 P08253 3/20 0.55
MMP9 P14780 3/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TYR P14679 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
JAK2 O60674 1/20 0.53

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
SCHEMBL13256239 1.00 TTR (0.58) TTRAPPPTPN1MAOAMAOB
SCHEMBL2614742 1.00 TTR (0.58) TTRAPPPTPN1MAOAMAOB
SCHEMBL31380287 1.00 TTR (0.58) TTRAPPPTPN1MAOAMAOB
SCHEMBL69618 0.89 TTR (0.66) TTRAPPPTPN1CA12CA1
SCHEMBL2631340 0.84 CA12 (0.66) TTRAPPPTPN1MMP1MMP2
SCHEMBL3065424 0.84 CA12 (0.66) TTRAPPPTPN1MMP1MMP2
SCHEMBL30676338 0.84 CA12 (0.66) TTRAPPPTPN1MMP1MMP2
SCHEMBL1269502 0.83 TTR (0.63) TTRMAOAMAOBMMP1MMP2
SCHEMBL1269501 0.83 TTR (0.63) TTRMAOAMAOBMMP1MMP2
SCHEMBL2280675 0.83 TTR (0.58) TTRAPPPTPN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059668-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2018-08-28 US disclosed
WO-2017079476-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-05-11 WO disclosed
US-20170129857-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-05-11 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
EP-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO disclosed
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
EP-0590998-A1 1-Styryl-3-t-butyl-1,3-propanedione derivative and external preparation for skin using the same SHISEIDO COMPANY LIMITED (JP) 1994-04-06 EP disclosed
EP-0083228-B1 PHARMACEUTICALLY ACTIVE PHENYLCARBOXYLIC ACID DERIVATIVES ICI AMERICAS INC. (US) 1985-05-15 EP disclosed
US-4499299-A Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1985-02-12 US disclosed
EP-0083228-A1 Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1983-07-06 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 (6 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-20170129857-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A TTR 4881/4885APP 3564/4885PTPN1 2830/4885
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases CYP46A1, REN, CYP11B2 TTR 677/4885APP 746/4885PTPN1 4043/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT TTR 2182/4885APP 2841/4885PTPN1 3640/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT TTR 2182/4885APP 2841/4885PTPN1 3640/4885
US-10059668-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A TTR 4881/4885APP 3564/4885PTPN1 2830/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT TTR 2182/4885APP 2841/4885PTPN1 3640/4885

“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.