SCHEMBL427500

SCHEMBL427500

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
DNM1 Q05193 1/20 0.46
ALDH1A1 P00352 5/20 0.46
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
SCN7A Q01118 1/20 0.40

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
Hydrochloric Acid SCHEMBL25265974 0.98 TSHR (0.57) TSHRDNM1ALDH1A1THRBLMNA
Methacrylic Acid SCHEMBL2580360 0.96 TSHR (0.54) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL9767545 0.94 TSHR (0.69) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL3366486 0.94 TSHR (0.69) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL8424369 0.94 TSHR (0.66) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL1704602 0.94 TSHR (0.66) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL28482639 0.91 TSHR (0.55) TSHRDNM1ALDH1A1THRBLMNA
Cadaverine Tartrate SCHEMBL25213297 0.91 TSHR (0.49) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL27387413 0.91 TSHR (0.55) TSHRDNM1ALDH1A1THRBLMNA
SCHEMBL2807372 0.91 ALDH1A1 (0.56) TSHRDNM1ALDH1A1THRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118311082-A Alanine dosimeter microchip for ESR electron spin resonance spectrometer 上海金鹏源辐照技术有限公司 2024-07-09 CN claimed
US-20240041844-A1 COMPOSITIONS AND METHODS FOR AMELIORATING HELICOBACTERACEAE INFECTIONS UNIVERSITY OF OREGON (US) 2024-02-08 US claimed
EP-2793866-B2 BILAYER TABLET COMPRISING BENAZEPRIL HYDROCHLORIDE AND PIMOBENDAN ELANCO TIERGESUNDHEIT AG (CH) 2023-10-25 EP claimed
CN-116940346-A Solid dispersion 益方生物科技(上海)股份有限公司 2023-10-24 CN claimed
WO-2023193244-A1 SUPRAMOLECULAR SELF-ASSEMBLY SYSTEM 北京睿创康泰医药研究院有限公司 2023-10-12 WO claimed
US-20230312606-A1 MCL-1 INHIBITOR FORMULATIONS AMGEN INC. (US) 2023-10-05 US claimed
EP-4203922-A1 MCL-1 INHIBITOR FORMULATIONS Amgen Inc. (US) 2023-07-05 EP claimed
CN-116113473-A MCL-1 inhibitor formulations 安进公司 2023-05-12 CN claimed
EP-4106828-A1 POLYMER-ENCAPSULATED DRUG PARTICLES GIE Medical, Inc. (US) 2022-12-28 EP claimed
CN-114681392-A Sustained-release oral solid composition 江苏恒瑞医药股份有限公司 2022-07-01 CN claimed
US-20070190124-A1 Two or more solidifying agent-containing compositions and methods for dermal delivery of drugs NUVO RESEARCH INC. (CA) 2007-08-16 US claimed
US-20070189977-A1 Spray-on formulations and methods for dermal delivery of drugs ZARS, INC. 2007-08-16 US claimed
US-20070189978-A1 Compositions and methods for dermally treating musculoskeletal pain ZARS, INC. 2007-08-16 US claimed
WO-2007070679-A2 COMPOSITIONS AND METHODS FOR DERMALLY TREATING PAIN ZARS, INC. (US) 2007-06-21 WO claimed
WO-2007070695-A2 FLUX-ENABLING COMPOSITIONS AND METHODS FOR DERMAL DELIVERY OF DRUGS ZARS, INC. (US) 2007-06-21 WO claimed
WO-2007070643-A2 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS ZARS, INC. (US) 2007-06-21 WO claimed
WO-2007070694-A2 SPRAY-ON FORMULATIONS AND METHODS FOR DERMAL DELIVERY OF DRUGS ZARS, INC. (US) 2007-06-21 WO claimed
CN-1555256-A Pharmaceutical formulation comprising a proton pump inhibitor and antacids 2004-12-15 CN claimed
US-20030129131-A1 Preparations for measuring gastric ph value and method of measuring gastric ph value by using the same OTSUKA PHARMACEUTICAL CO., LTD (JP) 2003-07-10 US claimed
EP-1312381-A1 PREPARATIONS FOR MEASRUING GASTRIC pH VALUE AND METHOD OF MEASURING GASTRIC pH VALUE BY USING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 EP claimed

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-20240041844-A1 COMPOSITIONS AND METHODS FOR AMELIORATING HELICOBACTERACEAE INFECTIONS PRDX3, GPX1, POR TSHR 2131/4885DNM1 4358/4885ALDH1A1 578/4885
US-20230312606-A1 MCL-1 INHIBITOR FORMULATIONS MCL1, BAK1, BCL2L1 TSHR 4494/4885DNM1 244/4885ALDH1A1 650/4885

“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.