SCHEMBL3675412

SCHEMBL3675412

CC(C)Cc1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
LMNA P02545 3/20 0.53
ALOX5 P09917 3/20 0.53
CYP2C9 P11712 2/20 0.53
AKR1C3 P42330 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C2 P52895 1/20 0.53
BLM P54132 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
SCHEMBL25477242 0.94 PTGS1 (0.49) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL1447047 0.89 PTGS2 (0.45) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL11488327 0.86 PTGS1 (0.52) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL10750896 0.84 PTGS1 (0.50) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL10747854 0.84 GSK3B (0.52) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL6675858 0.84 PTGS1 (0.50) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL9518384 0.84 PTGS1 (0.50) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL24519246 0.84 KDM4E (0.44) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL21064585 0.83 PTGS1 (0.57) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL3685675 0.83 KDM4E (0.50) LMNACYP2C9RARBKDM4EDBH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 US disclosed
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 US disclosed
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 US disclosed
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
CN-111056890-B Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2022-10-14 CN disclosed
US-11384150-B2 Antibody-drug conjugates and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2022-07-12 US disclosed
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20090246141-A1 HIGHER FATTY ACID TRIESTER AND AMIDE DERIVATIVE HAVING DIETHYLENETRIAMINE-TYPE METAL CHELATE STRUCTURE FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 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 (7 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP PTGS1 518/4885PTGS2 1444/4885LMNA 753/4885
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 PTGS1 3980/4885PTGS2 3577/4885LMNA 2994/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 PTGS1 1886/4885PTGS2 1443/4885LMNA 1270/4885
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN PTGS1 4220/4885PTGS2 4281/4885LMNA 1248/4885
US-20090246141-A1 HIGHER FATTY ACID TRIESTER AND AMIDE DERIVATIVE HAVING DIETHYLENETRIAMINE-TYPE METAL CHELATE STRUCTURE FFAR3, FFAR1, FFAR2 PTGS1 656/4885PTGS2 1345/4885LMNA 1783/4885
US-11384150-B2 Antibody-drug conjugates and uses thereof EGFR, ERBB2, ERBB3 PTGS1 4642/4885PTGS2 4593/4885LMNA 4840/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PTGS1 518/4885PTGS2 1444/4885LMNA 753/4885

“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.