SCHEMBL5014188

SCHEMBL5014188

CC(C)(C)C(=O)CC(=O)C(C)(C)C(=O)O.[CaH2]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
HSD11B1 P28845 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL42256 0.97 TSHR (0.36) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL1171122 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL341962 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL1119343 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL8981788 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL5974062 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL2791336 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL6861198 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL768330 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL7629526 0.95 TSHR (0.35) TSHRALDH1A1KMT2ACYP2D6CYP2C19

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US claimed
US-20050165172-A1 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN (DE) 2005-07-28 US claimed
US-6521222-B1 Topical cosmetics such as strontium 2,4-pentanedionate applied to keratin fibers, nails and/or mucous membranes for injuries, eczema, ulcers, fibrosis, psoriasis, pruritus, dermatitis, warts and for aging or wrinkle resistance SOCIETE L'OREAL S.A. (FR) 2003-02-18 US claimed
US-5314866-A Formation of superconducting Bi-Sr-Ca-Cu-O films by organometallic chemical vapor deposition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-05-24 US claimed
CN-107204291-B Method for manufacturing field effect transistor, memory element, display device, and system 株式会社理光 2021-01-12 CN disclosed
US-9908819-B1 Printing method for production a ceramic green body WZR ceramic solutions GmbH (DE) 2018-03-06 US disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
US-7288599-B2 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN 2007-10-30 US disclosed
US-20050165172-A1 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN (DE) 2005-07-28 US disclosed
US-20030143252-A1 Inorganic/organic complexes for reducing skin irritation PHILIPPE MICHEL (FR) 2003-07-31 US disclosed
US-6521222-B1 Topical cosmetics such as strontium 2,4-pentanedionate applied to keratin fibers, nails and/or mucous membranes for injuries, eczema, ulcers, fibrosis, psoriasis, pruritus, dermatitis, warts and for aging or wrinkle resistance SOCIETE L'OREAL S.A. (FR) 2003-02-18 US disclosed
US-6211096-B1 Tunable dielectric constant oxide and method of manufacture LSI LOGIC CORPORATION 2001-04-03 US disclosed
EP-0663001-B1 FUEL ADDITIVES ASS OCTEL (GB) 2000-05-17 EP disclosed
WO-1998043286-A1 TUNABLE DIELECTRIC CONSTANT OXIDE AND METHOD OF MANUFACTURE SYMBIOS, INC. (US) 1998-10-01 WO disclosed
US-5593464-A POLLUTION CONTROL THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1997-01-14 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 (1 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-20030143252-A1 Inorganic/organic complexes for reducing skin irritation DEK, CUTA, TRPV2 TSHR 4207/4885ALDH1A1 1515/4885KMT2A 3012/4885

“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.