SCHEMBL9945969

SCHEMBL9945969

CCOc1ccc(C(C)C)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
CARM1 Q86X55 1/20 0.58
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
FKBP1A P62942 1/20 0.50
NQO1 P15559 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
PLA2G1B P04054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9945997 0.87 KDM4E (0.61) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL13877339 0.85 CARM1 (0.48) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL16160161 0.84 NQO1 (0.50) KDM4ECARM1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL3638527 0.83 CARM1 (0.47) KDM4ECARM1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL4235610 0.83 CARM1 (0.47) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL25907878 0.83 KDM4E (0.72) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL25454005 0.83 CARM1 (0.61) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL28816919 0.82 KMT2A (0.60) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL15677120 0.81 KMT2A (0.60) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL28984986 0.81 KDM4E (0.50) KDM4ECARM1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010584-B Method for synthesizing aromatic ketone by iron-catalyzed oxidation of tertiary carbon bond breaking of benzyl position 南京师范大学 2023-12-12 CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
CN-115010584-A Method for synthesizing arone by oxidizing benzyl tertiary carbon broken bond under catalysis of iron 南京师范大学 2022-09-06 CN disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
WO-2018013213-A1 COMPOUNDS FOR REDUCING C-MYC IN C-MYC OVEREXPRESSING CANCERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-18 WO disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
WO-2017079558-A1 TARGETING CASEIN KINASE-1 AND PI3K/AKT/mTOR PATHWAYS FOR TREATMENT OF C-MYC-OVEREXPRESSING CANCERS, ORGAN TRANSPLANT ASSOCIATED COMPLICATIONS AND AUTOIMMUNE DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-11 WO disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US 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 (11 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885CARM1 4297/4885KMT2A 4328/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 KDM4E 2342/4885CARM1 1008/4885KMT2A 2079/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G KDM4E 3705/4885CARM1 2475/4885KMT2A 4151/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CARM1 3218/4885KMT2A 3837/4885

“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.