SCHEMBL537242

SCHEMBL537242

C=C(C(=O)OC)[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.36
EPHX1 P07099 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31
FAAH O00519 1/20 0.30
POLB P06746 1/20 0.30
POLA1 P09884 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL6602326 0.82 ALDH1A1 (0.41) ALDH1A1TSHRHPGDFAAH
SCHEMBL30840393 0.79 TSHR (0.33) TSHR
SCHEMBL6012107 0.77 AKR1B1 (0.36) ALDH1A1TSHRCES2CES1
SCHEMBL9848119 0.75 TDP1 (0.35) ALDH1A1TSHRCA1CA2FAAH
SCHEMBL392932 0.74 EPHX1 (0.30) EPHX1
SCHEMBL7839516 0.73 ALDH1A1 (0.35) ALDH1A1TSHREPHX1CA1CA2
SCHEMBL9848101 0.72 ALDH1A1 (0.39) ALDH1A1CES2CES1
SCHEMBL907589 0.71 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL16666931 0.71 TSHR (0.52) ALDH1A1TSHRCA2POLBPOLA1
Hexane SCHEMBL27951935 0.70 ALDH1A1 (0.71) ALDH1A1TSHREPHX1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027739-A Preparation method of ink for automobile toughened glass 浙江浦江永进工贸有限公司 2024-05-14 CN disclosed
CN-117858872-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-09 CN disclosed
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed
WO-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
EP-2229942-B1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPE SPA (IT) 2012-08-29 EP disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 US disclosed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 WO disclosed
EP-0929524-A1 PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
EP-0745089-B1 ANTIPARASITIC AGENTS PFIZER LTD (GB) 1998-12-09 EP disclosed
WO-1998012179-A1 PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
US-5723488-A Antiparasitic agents PFIZER INC. (US) 1998-03-03 US disclosed
EP-0745089-A1 ANTIPARASITIC AGENTS Pfizer Limited (GB) 1996-12-04 EP disclosed
WO-1995022552-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 1995-08-24 WO disclosed
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 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 (4 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885TSHR 4512/4885EPHX1 671/4885
US-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 ALDH1A1 2294/4885TSHR 1620/4885EPHX1 2383/4885
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 ALDH1A1 1679/4885TSHR 2855/4885EPHX1 3476/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885TSHR 4512/4885EPHX1 671/4885

“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.