SCHEMBL98443

SCHEMBL98443

CC(C)(C)C=CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.55
PAM P19021 1/20 0.37
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 1/20 0.35
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL25304685 1.00 CYP2D6 (0.55) CYP2D6ALDH1A1ALOX15PAMHMGCR
SCHEMBL3898173 0.80 CYP2D6 (0.50) CYP2D6ALDH1A1ALOX15PAMHMGCR
SCHEMBL7563224 0.80 CYP2D6 (0.50) CYP2D6ALDH1A1ALOX15PAMHMGCR
SCHEMBL3898176 0.80 CYP2D6 (0.50) CYP2D6ALDH1A1ALOX15PAMHMGCR
SCHEMBL1784126 0.79 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL1784127 0.79 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL29169428 0.78 CYP2D6 (0.48) CYP2D6ALDH1A1ALOX15PAMHMGCR
SCHEMBL1716576 0.77 TET2 (0.42) ALOX15HSD17B10
SCHEMBL5420623 0.75 PPARG (0.48) CYP2D6ALDH1A1ALOX15CHRM1TBXA2R
SCHEMBL22500718 0.75 CYP2D6 (0.44) CYP2D6ALDH1A1ALOX15PAMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382264-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX AICHI STEEL CORPORATION (JP) 2025-12-18 US disclosed
EP-4501909-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX Aichi Steel Corporation (JP) 2025-02-05 EP disclosed
US-12139482-B2 Bicyclic pyridone lactams and methods of use thereof GENENTECH, INC. (US) 2024-11-12 US disclosed
EP-3526219-B1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-03 US disclosed
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof GENENTECH, INC. (US) 2021-03-16 US disclosed
EP-3526219-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-08-21 EP disclosed
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
WO-2018073193-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-04-26 WO disclosed
US-9566577-B1 Catalytic hydrogenation using complexes of base metals with tridentate ligands LOS ALAMOS NATIONAL SECURITY, LLC (US) 2017-02-14 US disclosed
CN-103739574-A Synthetic method of substitutive 5H-furan-2-ketone compound UNIV ZHEJIANG TECHNOLOGY 2014-04-23 CN disclosed
WO-2013062887-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GPR131 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed
US-3946054-A PERFUMES, TOBACCO, FOOD FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-03-23 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 (8 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CYP2D6 2223/4885ALDH1A1 1896/4885ALOX15 3928/4885
US-20250382264-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND COMPLEX NR2C2, NR3C2, NPR1 CYP2D6 2941/4885ALDH1A1 2752/4885ALOX15 3461/4885
US-20210163475-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK CYP2D6 26/4885ALDH1A1 1757/4885ALOX15 569/4885
US-10947226-B2 Bicyclic pyridone lactams and methods of use thereof CYP3A5, C5, PDXK CYP2D6 26/4885ALDH1A1 1757/4885ALOX15 569/4885
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CYP2D6 3703/4885ALDH1A1 2160/4885ALOX15 4028/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CYP2D6 3703/4885ALDH1A1 2160/4885ALOX15 4028/4885
US-20190241565-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF CYP3A5, C5, PDXK CYP2D6 26/4885ALDH1A1 1757/4885ALOX15 569/4885
US-12139482-B2 Bicyclic pyridone lactams and methods of use thereof CYP3A5, C5, PDXK CYP2D6 26/4885ALDH1A1 1757/4885ALOX15 569/4885

“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.