SCHEMBL10728992

SCHEMBL10728992

CC(=O)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 4/20 0.36
SLC15A2 Q16348 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
IAPP P10997 1/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.34
NAPRT Q6XQN6 1/20 0.34
KEAP1 Q14145 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1095111 0.83 KEAP1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTKEAP1
Acetic Acid SCHEMBL30885078 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
Acetic Acid SCHEMBL1075968 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
Acetic Acid SCHEMBL9803960 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL28904095 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDLMNACES2
Acetic Acid SCHEMBL9296547 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL9517922 0.81 KEAP1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKEAP1
SCHEMBL17570461 0.80 HSD11B1 (0.42) ALDH1A1HPGDSMN1; SMN2CES2CES1
Ethane SCHEMBL28508951 0.80 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9858681 0.79 KDM4E (0.43) KDM4ESMN1; SMN2LMNAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218227-B Method for preparing aryl ketone derivative 苏州大学 2021-12-10 CN disclosed
US-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS CLARIANT INTERNATIONAL LTD (CH) 2021-08-19 US disclosed
US-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT INTERNATIONAL LTD (CH) 2021-05-27 US disclosed
WO-2019243583-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO disclosed
WO-2019243581-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO disclosed
US-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 US disclosed
US-4687874-A Selective hydroformylation process using alkyl diaryl phosphine rhodium carbonyl hydride catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4687866-A Ligand exchange process for producing alkyl diaryl phosphine rhodium carbonyl hydrides EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4668809-A ALKYL DIARYLPHOSPHINE RHODIUM CARBONYL HYDRIDES, HYDROFORMYLATION, OLEFINS EXXON RESEARCH AND ENGINEERING (US) 1987-05-26 US disclosed
US-4595753-A Nitrogen heterocycle substituted EXXON RESEARCH AND ENGINEERING CO. (US) 1986-06-17 US disclosed
EP-0024091-B1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-04-03 EP disclosed
EP-0024091-A4 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-07-16 EP disclosed
EP-0024091-A1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-02-25 EP disclosed
WO-1980001690-A1 CARBONYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 WO 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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE ALDH1A1 2593/4885KDM4E 794/4885HPGD 3391/4885
US-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS NPSR1, TACR1, HRH3 ALDH1A1 381/4885KDM4E 4824/4885HPGD 745/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE ALDH1A1 2593/4885KDM4E 794/4885HPGD 3391/4885
US-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES NPY1R, TAAR1, CHRNA1 ALDH1A1 659/4885KDM4E 4099/4885HPGD 3547/4885
US-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES PTMS, FCGR2A, FCGR3B ALDH1A1 3096/4885KDM4E 1479/4885HPGD 4490/4885

“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.