SCHEMBL43182

SCHEMBL43182

CC(C)(C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL192853 0.88 KIF11 (0.48) ALDH1A1CYP3A4MAPK1MAPTKMT2A
SCHEMBL14594552 0.82 ESR1 (0.45) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL4926591 0.81 TSHR (0.50) ALDH1A1CYP3A4MAPK1MAPTKMT2A
SCHEMBL29148200 0.80 TAAR1 (0.40) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL28102219 0.79 ALDH1A1 (0.44) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL4969374 0.79 TSHR (0.55) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL2121346 0.79 ESR1 (0.44) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL27948396 0.79 ALDH1A1 (0.44) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL3160077 0.77 CES2 (0.44) ALDH1A1TSHR
SCHEMBL1806495 0.77 MEN1 (0.52) CYP3A4MAPK1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-11 US claimed
CN-117374275-A Walnut shell hard carbon anode material and preparation method and application thereof 常州烯源谷新材料科技有限公司 2024-01-09 CN claimed
WO-2022107049-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-27 WO claimed
CN-109438205-B Synthesis method of 2-methyl-2, 3-diaryl propionaldehyde derivative 西北大学 2021-11-12 CN claimed
CN-109400438-B Synthesis method of 9, 10-disubstituted phenanthrene compound 西北大学 2021-07-02 CN claimed
CN-109385889-B Antibacterial and anti-radiation fabric 银维康新材料科技(珠海)有限公司 2021-05-07 CN claimed
CN-108923064-B Solid polymer electrolyte, preparation method thereof and lithium ion secondary battery 山西长韩新能源科技有限公司 2020-10-02 CN claimed
EP-3713921-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-09-30 EP claimed
US-8680040-B2 1-aza-3,7-dioxabicyclo[3,3,0]octane compounds and monocyclic oxazolidines as pro-fragrances HENKEL AG & CO. KGAA (DE) 2014-03-25 US claimed
US-7968605-B2 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2011-06-28 US claimed
EP-2099439-A2 METHODS FOR TREATING INFLAMMATORY DISEASE BY ADMINISTERING ALDEHYDES AND DERIVATIVES THEREOF ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTO (PT) 2009-09-16 EP claimed
US-7439384-B2 Catalytic polymerization of vinyl chloride with bases with peroxy compounds ATOFINA (FR) 2008-10-21 US claimed
WO-2008069688-A2 METHODS FOR TREATING INFLAMMATORY DISEASE BY ADMINISTERING ALDEHYDES AND DERIVATIVES THEREOF ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) 2008-06-12 WO claimed
US-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2008-01-31 US claimed
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2007-09-20 US claimed
EP-1362029-B1 HYDROXY-PEROXYESTER PREPARATION METHOD ARKEMA (FR) 2005-09-14 EP claimed
US-20040176632-A1 Catalytic polymerization of vinyl chloride with bases with peroxy compounds ATOFINA (FR) 2004-09-09 US claimed
US-12622880-B2 Therapeutic system for the topical, transdermal and transcutaneous application of carbon monoxide JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2026-05-12 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4044060-A PHOSGENE, THIONYL, PHOSPHORUS, ALDEHYDE, KETONE BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 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-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 ALDH1A1 7/4885ESR1 3788/4885ESR2 1583/4885
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRD1 ALDH1A1 692/4885ESR1 1504/4885ESR2 734/4885
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 ALDH1A1 7/4885ESR1 3788/4885ESR2 1583/4885
US-12622880-B2 Therapeutic system for the topical, transdermal and transcutaneous application of carbon monoxide COL2A1, COL1A1, MB ALDH1A1 3397/4885ESR1 161/4885ESR2 359/4885

“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.