SCHEMBL2113825

SCHEMBL2113825

CC(C)CCC(CO)(CO)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.39
CA1 P00915 2/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
LMNA P02545 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
SCHEMBL11195867 0.86 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL28445467 0.79 ALDH1A1 (0.42) ALDH1A1TSHRCA1MEN1CYP3A4
SCHEMBL5382183 0.77 ALDH1A1 (0.41) ALDH1A1TSHRMEN1CYP3A4ALOX15
SCHEMBL28419335 0.77 ALDH1A1 (0.41) ALDH1A1TSHRCA1MEN1CYP3A4
SCHEMBL6623526 0.75 TSHR (0.37) ALDH1A1TSHR
SCHEMBL6758004 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMEN1CYP3A4ALOX15
SCHEMBL5907149 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMEN1CYP3A4ALOX15
SCHEMBL1371359 0.75 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL6758007 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMEN1CYP3A4ALOX15
Isobutanol SCHEMBL30450802 0.73 TSHR (0.64) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119124941-A Linear wide-range hemocytometer reagent and preparation method thereof 江苏荣盛嘉美生物试剂有限公司 2024-12-13 CN claimed
CN-114656614-B Polyurethane elastomer and application thereof 中国科学院长春应用化学研究所 2024-06-25 CN claimed
CN-114656614-A Polyurethane elastomer and application thereof 中国科学院长春应用化学研究所 2022-06-24 CN claimed
US-12612349-B2 Process for the preparation of 2-isopentyl-2-isopropyl-1,3-dimethoxypropane SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2026-04-28 US disclosed
EP-4617244-A1 RADIATION CURABLE COMPOSITION FOR FORMING OPTICAL FIBER PRIMARY COAT LAYER, AND URETHANE (METH)ACRYLATE Japan Fine Coatings Co., Ltd. (JP) 2025-09-17 EP disclosed
US-20250179243-A1 MAIN CHAIN POLYMER, OPTICAL FILM, METHOD FOR PRODUCING MAIN CHAIN POLYMER, METHOD FOR PRODUCING OPTICAL FILM, AND MULTILAYER FILM TOSOH CORPORATION (JP) 2025-06-05 US disclosed
EP-4563630-A1 PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL MANUFACTURING METHOD Mitsubishi Chemical Corporation (JP) 2025-06-04 EP disclosed
US-20250163229-A1 PREPREG, FIBER-REINFORCED COMPOSITE ARTICLE, AND METHOD OF PRODUCING FIBER-REINFORCED COMPOSITE ARTICLE MITSUBISHI CHEMICAL CORPORATION (JP) 2025-05-22 US disclosed
WO-2025096892-A2 CROSS-LINKING AGENT FOR THERMOSETTING RESIN AND COMPOSITION FOR RIGID SUBSTRATE USING THIS CROSS-LINKING AGENT THE CHEMOURS COMPANY FC, LLC (US) 2025-05-08 WO disclosed
WO-2025029770-A1 FLUORINE-CONTAINING COMPOSITION, VARNISH AND INSULATED WIRE CONTAINING THIS FLUORINE-CONTAINING COMPOSITION Chemours-Mitsui Fluoroproducts Co., Ltd. (JP) 2025-02-06 WO disclosed
CN-119124941-A Linear wide-range hemocytometer reagent and preparation method thereof 江苏荣盛嘉美生物试剂有限公司 2024-12-13 CN disclosed
US-20140206826-A1 HIGH-FLUIDITY POLYCARBONATE COPOLYMER, PROCESS FOR PRODUCTION HIGHLY POLYMERIZED AROMATIC POLYCARBONATE RESIN AND AROMATIC POLYCARBONATE COMPOUND (AS AMENDED) MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-07-24 US disclosed
CN-101517487-B Radiation-sensitive composition, method for forming silica-based coating film, device and member having silica-based coating film, and photosensitizer for insulating film HITACHI CHEMICAL CO LTD 2012-08-08 CN disclosed
US-8158981-B2 Radiation-sensitive composition, method of forming silica-based coating film, silica-based coating film, apparatus and member having silica-based coating film and photosensitizing agent for insulating film HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-8158981-B2 Radiation-sensitive composition, method of forming silica-based coating film, silica-based coating film, apparatus and member having silica-based coating film and photosensitizing agent for insulating film HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-8158981-B2 Radiation-sensitive composition, method of forming silica-based coating film, silica-based coating film, apparatus and member having silica-based coating film and photosensitizing agent for insulating film HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-20100102321-A1 RADIATION-SENSITIVE COMPOSITION, METHOD OF FORMING SILICA-BASED COATING FILM, SILICA-BASED COATING FILM, APPARATUS AND MEMBER HAVING SILICA-BASED COATING FILM AND PHOTOSENSITIZING AGENT FOR INSULATING FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-04-29 US disclosed
US-20100102321-A1 RADIATION-SENSITIVE COMPOSITION, METHOD OF FORMING SILICA-BASED COATING FILM, SILICA-BASED COATING FILM, APPARATUS AND MEMBER HAVING SILICA-BASED COATING FILM AND PHOTOSENSITIZING AGENT FOR INSULATING FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-04-29 US disclosed
US-20100102321-A1 RADIATION-SENSITIVE COMPOSITION, METHOD OF FORMING SILICA-BASED COATING FILM, SILICA-BASED COATING FILM, APPARATUS AND MEMBER HAVING SILICA-BASED COATING FILM AND PHOTOSENSITIZING AGENT FOR INSULATING FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-04-29 US disclosed
CN-101517487-A Radiation-sensitive composition, method for forming silica-based coating film, device and member having silica-based coating film, and photosensitizer for insulating film HITACHI CHEMICAL CO LTD (JP) 2009-08-26 CN 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 (2 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-20250179243-A1 MAIN CHAIN POLYMER, OPTICAL FILM, METHOD FOR PRODUCING MAIN CHAIN POLYMER, METHOD FOR PRODUCING OPTICAL FILM, AND MULTILAYER FILM C9, RNF4, F12 ALDH1A1 885/4885TSHR 2163/4885CA1 3090/4885
US-12612349-B2 Process for the preparation of 2-isopentyl-2-isopropyl-1,3-dimethoxypropane ADH1C, ADH1A, CYP2E1 ALDH1A1 6/4885TSHR 4011/4885CA1 262/4885

“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.