SCHEMBL35577

SCHEMBL35577

CC(C)(c1ccccc1)N(O)C(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL16300532 0.78 KIF11 (0.43) ALDH1A1ESR1ESR2CYP3A4MAPT
SCHEMBL22788471 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL1149712 0.76 KCNN4 (0.59) ALDH1A1ALOX15ESR1ESR2CYP3A4
Hydrochloric Acid SCHEMBL2810767 0.74 KCNN4 (0.56) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL14236873 0.74 KCNN4 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL14306333 0.74 KCNN4 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL29286845 0.72 KCNN4 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL2038162 0.72 KCNN4 (0.42) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL27262221 0.72 MAPT (0.47) ALDH1A1ALOX15ESR1ESR2CYP3A4
Tert-Butylbenzene SCHEMBL309340 0.71 LMNA (0.55) ALDH1A1ALOX15ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212340-A1 CONTRAST AGENT FOR 3D EX VIVO IMAGING OF VASCULAR AND TUBULAR STRUCTURES IN THE KIDNEY Universität Zürich (CH) 2023-07-06 US claimed
EP-2970538-B1 POLYMERIZATION PROCESS PROTECTION MEANS DUPONT ELECTRONICS INC (US) 2021-10-20 EP claimed
WO-2021110991-A1 CONTRAST AGENT FOR 3D EX VIVO IMAGING OF VASCULAR AND TUBULAR STRUCTURES IN THE KIDNEY Universität Zürich (CH) 2021-06-10 WO claimed
EP-1054906-B2 POLYMERIZATION PROCESS WITH LIVING CHARACTERISTICS AND POLYMERS MADE THEREFROM COMMW SCIENT IND RES ORG (AU) 2013-04-10 EP claimed
US-20100160574-A1 Polymerisation Using Chain Transfer Agents THE UNIVERSITY OF LEEDS (GB) 2010-06-24 US claimed
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2009-08-27 US claimed
EP-1149075-B1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2008-12-31 EP claimed
WO-2008089518-A1 POLYMER SYNTHESIS POLYMERS CRC LTD (AU) 2008-07-31 WO claimed
EP-1950232-A1 Process for the preparation of graft copolymers by Reversible Addition Fragmentation Chain Transfer (RAFT) and Ring Opening Polymerisation (ROP) Polymers Australia PTY Limited (AU) 2008-07-30 EP claimed
US-7319083-B2 Polymerized catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-15 US claimed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US claimed
US-20040147391-A1 Polymerized catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-07-29 US claimed
US-20040024132-A1 Polymerization process with living characteristics and polymers made therefrom COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-02-05 US claimed
US-6642318-B1 Sulfur based chain transfer agents; widely compatible; free radical polymerization; producing low polydispersity and predictably specific architecture E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-04 US claimed
EP-1149075-A4 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS DU PONT (US) 2003-10-22 EP claimed
US-6512081-B1 Synthesis of dithioester chain transfer agents and use of bis(thioacyl) disulfides or dithioesters as chain transfer agents E.I. DUPONT NEMOURS AND COMPANY 2003-01-28 US claimed
EP-1149075-A1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-10-31 EP claimed
EP-1054906-A1 POLYMERIZATION PROCESS WITH LIVING CHARACTERISTICS AND POLYMERS MADE THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-11-29 EP claimed
WO-1999031144-A1 POLYMERIZATION PROCESS WITH LIVING CHARACTERISTICS AND POLYMERS MADE THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-24 WO claimed
WO-1999005099-A1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-02-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230212340-A1 CONTRAST AGENT FOR 3D EX VIVO IMAGING OF VASCULAR AND TUBULAR STRUCTURES IN THE KIDNEY REN, FLT4, FLT1 ALDH1A1 1824/4885ALOX15 3341/4885ESR1 2483/4885
US-20100160574-A1 Polymerisation Using Chain Transfer Agents TRRAP, TRMT1, IPO11 ALDH1A1 2336/4885ALOX15 239/4885ESR1 3713/4885
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS TRRAP, TRMT1, IPO11 ALDH1A1 2336/4885ALOX15 239/4885ESR1 3713/4885

“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.