SCHEMBL276477

SCHEMBL276477

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR3 O14843 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TET2 Q6N021 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL27862183 0.85 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18478941 0.85 CYP2C19 (0.48) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18653403 0.85 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9147483 0.84 FFAR3 (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL23245033 0.81 ALDH1A1 (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3819386 0.81 TSHR (0.31) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL5500584 0.81 ALDH1A1 (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL525645 0.81 AKR1B1 (0.34) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL1449670 0.80 THRB (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL29240849 0.80 TSHR (0.38) 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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295693-A Spin-on metal-organic formulations 默克专利股份有限公司 2023-12-26 CN claimed
CN-117295693-A Spin-on metal-organic formulations 默克专利股份有限公司 2023-12-26 CN disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
EP-3085738-B1 SEMI-AROMATIC POLYAMIDE RESIN COMPOSITION AND MOLDED ARTICLE OF SAME MITSUI CHEMICALS INC (JP) 2022-01-19 EP disclosed
EP-3026084-B1 SEMI-AROMATIC POLYAMIDE RESIN COMPOSITION AND MOLDED ARTICLE CONTAINING SAME MITSUI CHEMICALS INC (JP) 2020-02-19 EP disclosed
CN-110495042-A Electrolyte solution for lithium ion secondary battery, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110495041-A Electrolyte, electrochemical device, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110383567-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2019-10-25 CN disclosed
CN-107210486-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-10-18 CN disclosed
CN-110313098-A Electrolyte, electrochemical device, lithium ion secondary battery and component 大金工业株式会社 2019-10-08 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
WO-2002073720-A2 BINDER COMPOSITION ATOFINA (FR) 2002-09-19 WO disclosed
US-6287723-B1 POLYMER OF ACRYLIC ESTER NIPPON ZEON CO., LTD. (JP) 2001-09-11 US disclosed
EP-0762032-B1 Multi-layer pipe MITSUI CHEMICALS INC (JP) 1999-12-15 EP disclosed
US-5842505-A Multi-layer pipe MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-01 US disclosed
EP-0762032-A2 Multi-layer pipe MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-03-12 EP disclosed
US-5117022-A Antitumor THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-26 US disclosed
WO-1990002131-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-03-08 WO disclosed
US-4789568-A MALEIC ACID OR ANHYDRIDE GRAFTED POLYOLEFIN MONOEPOXY ADDUCT; PROTECTIVE, DECORATIVE Kansai Paint Co., Ltd., a Japanese Corp. (JP) 1988-12-06 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 TSHR 47/4885ALDH1A1 3160/4885CYP2D6 730/4885

“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.