SCHEMBL765010

SCHEMBL765010

COC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.54
CXCR1 P25024 3/20 0.54
CXCR2 P25025 3/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MAPT P10636 2/20 0.53
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
ALB P02768 1/20 0.50

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
SCHEMBL25146751 0.95 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CXCR1CXCR2
SCHEMBL8121457 0.90 PTPN1 (0.55) LOXL2CYP4A11CYP4F2CXCR1CXCR2
SCHEMBL13638915 0.87 RAB9A (0.68) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL9372952 0.87 RAB9A (0.68) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL5177723 0.87 LOXL2 (0.59) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28403117 0.86 PTGS1 (0.52) CYP4A11CYP4F2CXCR1CXCR2PTGS1
SCHEMBL2658692 0.86 PTGS1 (0.60) LOXL2CYP4A11CXCR1CXCR2MAPT
SCHEMBL2331067 0.85 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL10662499 0.85 LOXL2 (0.68) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL3026218 0.85 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997034860-A1 A PROCESS FOR THE PREPARATION OF α-ARYLPROPIONIC ACIDS AND THE INTERMEDIATES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1997-09-25 WO claimed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-11684609-B2 Compounds and methods for treating an epileptic disorder THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-27 US disclosed
US-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-01-05 US disclosed
US-11358942-B2 Substituted phenothiazines as proteasome activators BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-06-14 US disclosed
US-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 US disclosed
US-20210300903-A1 SIGMA RECEPTOR BINDERS UNIV TEXAS (US) 2021-09-30 US disclosed
US-20200165216-A1 SMALL MOLECULE PROTEASOME ACTIVATORS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2020-05-28 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-0760359-B1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL CO (JP) 1999-10-20 EP disclosed
US-5714627-A REACTING A DIALKYL CARBONATE WITH AN AROMATIC CARBOXYLIC ACID ARYL ESTER IN THE PRESENCE OF A CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-02-03 US disclosed
EP-0760359-A1 Method for preparing aromatic carbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-03-05 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 (10 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 LOXL2 1979/4885CYP4A11 684/4885CYP4F2 3304/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A LOXL2 3971/4885CYP4A11 187/4885CYP4F2 1510/4885
US-11358942-B2 Substituted phenothiazines as proteasome activators PSMG3, ADRM1, PSME3 LOXL2 2727/4885CYP4A11 4190/4885CYP4F2 3879/4885
US-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 LOXL2 3075/4885CYP4A11 3269/4885CYP4F2 3847/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 LOXL2 4754/4885CYP4A11 17/4885CYP4F2 259/4885
US-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS PSMG3, PSME3, PSME1 LOXL2 3380/4885CYP4A11 4341/4885CYP4F2 4358/4885
US-20200165216-A1 SMALL MOLECULE PROTEASOME ACTIVATORS AND USES THEREOF PSMG3, PSME3, PSMB2 LOXL2 2846/4885CYP4A11 4521/4885CYP4F2 4596/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B LOXL2 2311/4885CYP4A11 4177/4885CYP4F2 4525/4885
US-11684609-B2 Compounds and methods for treating an epileptic disorder GABRE, SLC6A1, GABBR1 LOXL2 671/4885CYP4A11 305/4885CYP4F2 433/4885
US-20210300903-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 LOXL2 3192/4885CYP4A11 3291/4885CYP4F2 3855/4885

“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.