SCHEMBL4452350

SCHEMBL4452350

CC(C)(C)CCOC([O])=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL607857 0.81 ALDH1A1 (0.41) EGFRLMNAHSD17B10GAA
SCHEMBL4229823 0.79 ALDH1A1 (0.48) LMNAHSD17B10GAA
SCHEMBL4452351 0.79 EGFR (0.31) EGFRLMNAHSD17B10GAA
SCHEMBL6725575 0.79 EGFR (0.31) EGFRLMNAHSD17B10GAA
SCHEMBL1394492 0.77 ALDH1A1 (0.31) EGFRLMNAHSD17B10GAA
SCHEMBL1753756 0.77 POLB (0.43) GAA
SCHEMBL6725581 0.77 EGFR (0.31) EGFRLMNAHSD17B10GAA
SCHEMBL225620 0.77 EGFR (0.33) EGFRLMNAHSD17B10GAA
SCHEMBL6790424 0.77 EGFR (0.31) EGFRLMNAHSD17B10GAA
SCHEMBL225621 0.77 LMNA (0.48) EGFRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 EGFR 4550/4885LMNA 4349/4885HSD17B10 1423/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 EGFR 4550/4885LMNA 4349/4885HSD17B10 1423/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 EGFR 4219/4885LMNA 4724/4885HSD17B10 722/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 EGFR 4550/4885LMNA 4349/4885HSD17B10 1423/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 EGFR 4219/4885LMNA 4724/4885HSD17B10 722/4885

“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.