SCHEMBL1109066

SCHEMBL1109066

O=Cc1ccc(N=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ ALDH5A1 P51649 1/20 0.48
▸ ABAT P80404 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.46
▸ TSHR P16473 2/20 0.42
▸ TYR P14679 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYP2A13 Q16696 1/20 0.42
▸ ALDH1A3 P47895 2/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KCNJ1 P48048 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ TRIM24 O15164 1/20 0.38

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
SCHEMBL24628725 0.93 DRD1 (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL12669932 0.87 PARP10 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Benzaldehyde SCHEMBL29291275 0.82 ALDH1A1 (0.67) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3074403 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5469857 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL14327704 0.79 CA2 (0.55) CYP2A6HSD17B10ALDH1A1KDM4ETP53
SCHEMBL31171 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4956384 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL234461 0.78 ALDH1A1 (0.58) HSD17B10ALDH1A1TSHRKDM4ETP53
SCHEMBL12632557 0.76 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727147-A A kind of aldehyde Knoevenagel condensation reaction methods under the conditions of no catalyst or solvent 南京林业大学 2018-11-02 — — CN claimed
CN-108530410-A A method of dihydropyran ring is built by benzaldehyde, α-methylstyrene class compound and dimethyl sulfoxide jointly 沅江华龙催化科技有限公司 2018-09-14 — — CN claimed
US-20230250364-A1 LAUNDRY CARE COMPOSITIONS, METHODS, AND TEST KITS FOR DETERMINING AUTHENTICITY PROCTER & GAMBLE (US) 2023-08-10 — — US disclosed
US-11542267-B2 Cryptate compounds AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2023-01-03 — — US disclosed
EP-3838957-A1 POLYIMINES AND USES THEREOF BOSTIK SA (FR) 2021-06-23 — — EP disclosed
EP-3763225-A1 BLACK RICE EXTRACT FERMENTS AND THE PREPARATION METHODS AND APPLICATIONS THEREOF TCI Co., Ltd. (TW) 2021-01-13 — — EP disclosed
CN-108727147-A A kind of aldehyde Knoevenagel condensation reaction methods under the conditions of no catalyst or solvent 南京林业大学 2018-11-02 — — CN disclosed
CN-104465106-B For the electricity-polymer coated of wet electrolytic capacitor AVX公司 2018-06-26 — — CN disclosed
CN-104271557-B The suppressing method of deubiquitination activity 威沃路克斯股份公司 2017-12-05 — — CN disclosed
EP-2571503-B1 COMPOSITIONS AND THEIR USE IN TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2015-01-07 — — EP disclosed
WO-2014106554-A1 (ETHYLENE, VINYL ACETAL) COPOLYMERS AND THEIR USE IN LITHOGRAPHIC PRINTING PLATE PRECURSORS AGFA GRAPHICS NV (BE) 2014-07-10 — — WO disclosed
US-7812051-B2 Pharmaceutical compositions of β-lapachone and β-lapachone analogs with improved tumor targeting potential ARQULE, INC. (US) 2010-10-12 — — US disclosed
US-20100256155-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS AND CELL TELOMERE AND DISEASES OF CELL PROLIFERATION BY USING HETEROANNELATED ANTHRAQUINONE DERIVATIVE COMPOUNDS NATIONAL DEFENSE MEDICAL CENTER (TW) 2010-10-07 — — US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 — — US disclosed
US-20090253707-A1 HETEROANNELATED ANTHRAQUINONE DERIVATIVES AND THE SYNTHESIS METHOD THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 — — US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 — — US disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 — — US disclosed
US-20080311516-A1 INKLESS PRINTING PAPER AND METHOD XEROX CORPORATION (US) 2008-12-18 — — US disclosed
US-7329681-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
CN-101010312-A Quaternary salt chemoattractant cytokine receptor 2 antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 — — 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 (6 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-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS CYP2A6 1711/4885HSD17B10 3174/4885ALDH5A1 1531/4885
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field EGFR, ERBB3, FGFR3 CYP2A6 547/4885HSD17B10 1558/4885ALDH5A1 3431/4885
US-11542267-B2 Cryptate compounds HCCS, SQOR, NQO1 CYP2A6 175/4885HSD17B10 430/4885ALDH5A1 79/4885
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 CYP2A6 370/4885HSD17B10 830/4885ALDH5A1 29/4885
US-20090253707-A1 HETEROANNELATED ANTHRAQUINONE DERIVATIVES AND THE SYNTHESIS METHOD THEREOF ANTXR2, RCC2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP2A6 104/4885HSD17B10 176/4885ALDH5A1 1125/4885
US-20100256155-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS AND CELL TELOMERE AND DISEASES OF CELL PROLIFERATION BY USING HETEROANNELATED ANTHRAQUINONE DERIVATIVE COMPOUNDS TELO2, TERT, POT1 CYP2A6 2263/4885HSD17B10 468/4885ALDH5A1 2016/4885

“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.

Send feedback