SCHEMBL797973

SCHEMBL797973

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
ACLY P53396 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
TET2 Q6N021 1/20 0.35
KDM4E B2RXH2 2/20 0.33
FFAR3 O14843 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GGT1 P19440 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32

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
SCHEMBL16542592 0.88 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85014 0.87 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL12066145 0.86 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL21600741 0.86 TSHR (0.43) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL24760401 0.86 TET2 (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL13316716 0.84 ALDH1A1 (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL20635493 0.84 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL24093686 0.84 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9977958 0.82 ALDH1A1 (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL12890724 0.82 TSHR (0.48) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645505-B1 PROCESS FOR THE SEPARATION OF LONG CHAIN AMINO ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2024-05-29 EP disclosed
US-20240066132-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2024-02-29 US disclosed
WO-2023186661-A1 ELECTROCHEMICAL OXIDATION OF CYCLOALKENES AND CYCLOALKANES INTO α,ω-DICARBOXYLIC ACIDS OR INTO KETOCARBOXYLIC ACIDS AND CYCLOALKANONE COMPOUNDS EVONIK OPERATIONS GMBH (DE) 2023-10-05 WO disclosed
EP-4253605-A1 ELECTROCHEMICAL OXIDATION OF CYCLOALKENES TO ALPHA, OMEGA-DICARBOXYLIC ACIDS AND KETOCARBOXYLIC ACIDS Evonik Operations GmbH (DE) 2023-10-04 EP disclosed
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2023-09-12 US disclosed
EP-3645502-B1 PROCESS FOR THE SEPARATION OF LONG CHAIN AMINO ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2023-08-23 EP disclosed
US-11685757-B2 Pharmaceutical co-crystal composition and use thereof Syn-Nat Products Enterprise LLC (US) 2023-06-27 US disclosed
EP-3589623-B1 PRODUCTION OF 2,5-FURANDICARBOXYLIC ACID TNO (NL) 2023-06-07 EP disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-3652149-B1 PROCESS FOR PRODUCING LONG CHAIN ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2022-12-28 EP disclosed
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2009-09-03 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
WO-2009027706-A2 CANCER IMAGING AND TREATMENT Technische Universität München (DE) 2009-03-05 WO disclosed
WO-2008006064-A2 BIOMIMETIC POLYMERS AND USES THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2008-01-10 WO disclosed
WO-2007076231-A2 BRIDGED PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2007-07-05 WO disclosed
US-20070111037-A1 ALIPHATIC POLYESTERS AND LUBRICANTS CONTAINING THE POLYESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-05-17 US disclosed
US-5301087-A Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0501439-A1 Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-09-02 EP disclosed
EP-0120257-B1 PROCESS FOR THE PREPARATION OF ISOCHROMAN DERIVATIVES HAARMANN & REIMER GMBH (DE) 1986-12-17 EP disclosed
EP-0120257-A1 Process for the preparation of isochroman derivatives HAARMANN & REIMER GMBH (DE) 1984-10-03 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 (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-20240066132-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 TSHR 828/4885ALDH1A1 849/4885CYP2D6 2119/4885
US-11685757-B2 Pharmaceutical co-crystal composition and use thereof CXCR3, CCR3, CCR5 TSHR 3538/4885ALDH1A1 4196/4885CYP2D6 837/4885
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 TSHR 620/4885ALDH1A1 907/4885CYP2D6 1688/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P TSHR 2801/4885ALDH1A1 3407/4885CYP2D6 4061/4885
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof ANXA6, STING1, ADM2 TSHR 3726/4885ALDH1A1 2863/4885CYP2D6 3438/4885

“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.