SCHEMBL2178782

SCHEMBL2178782

NCC(=O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CA1 P00915 1/20 0.57
CA6 P23280 1/20 0.57
EGLN2 Q96KS0 1/20 0.52
CTNNB1 P35222 1/20 0.49
FASN P49327 1/20 0.48
CLK1 P49759 2/20 0.47
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
ENPP2 Q13822 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CA5A P35218 1/20 0.44

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 SCHEMBL15973684 0.98 PARP1 (0.59) PARP1KDM4EALDH1A1CA12CA2
Hydrochloric Acid SCHEMBL29112401 0.98 PARP1 (0.59) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL4569137 0.86 PARP1 (0.59) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL108054 0.81 CA12 (0.59) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL30497947 0.81 CA12 (0.59) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL3442994 0.80 KDM4E (0.67) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL25911130 0.80 KDM4E (0.56) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL10080320 0.79 CA12 (0.57) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL620024 0.79 ALDH1A1 (0.59) PARP1KDM4EALDH1A1CA12CA2
SCHEMBL6398443 0.79 CA12 (0.57) PARP1KDM4EALDH1A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN claimed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN claimed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN claimed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 US claimed
CN-116731798-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2024-07-23 CN disclosed
CN-116761578-A Soluble solid articles containing preservative 宝洁公司 2023-09-15 CN disclosed
CN-116096341-A Hair conditioning composition with antimicrobial system 宝洁公司 2023-05-09 CN disclosed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN disclosed
US-10912608-B2 Radio frequency electro-thrombectomy device THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-02-09 US disclosed
WO-2019182008-A1 2-AMINOPHENOL MEASUREMENT METHOD 池田食研株式会社 2019-09-26 WO disclosed
EP-2130071-B1 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF BENZ RES AND DEVELOPMENT CORPORATION (US) 2018-08-29 EP disclosed
US-20180140354-A1 RADIO FREQUENCY ELECTRO-THROMBECTOMY DEVICE THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-05-24 US disclosed
US-8026326-B2 2-Amino-3-ethoxymethacroyl acetophenone crosslinked with a (meth)acrylate monomer; UV blocker and visible light filter in hard lenses, contact lenses, intraocular lenses, sunglasses, eyeglasses, windows and screens BENZ RESEARCH AND DEVELOPMENT CORP. (US) 2011-09-27 US disclosed
US-20110166381-A1 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF BENZ RESEARCH AND DEVELOPMENT CORP. 2011-07-07 US disclosed
EP-2130071-A2 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF Benz Research and Development Corporation (US) 2009-12-09 EP disclosed
US-20080242818-A1 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF BENZ RESEARCH AND DEVELOPMENT CORP. 2008-10-02 US disclosed
WO-2008109624-A2 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF BENZ RESEARCH AND DEVELOPMENT CORP. (US) 2008-09-12 WO disclosed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 US disclosed
WO-2006130832-A2 ANTI-INFECTIVE AND IMMUNOMODULATORY COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2006-12-07 WO disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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-20110166381-A1 LIGHT FILTERS COMPRISING A NATURALLY OCCURRING CHROMOPHORE AND DERIVATIVES THEREOF KYNU, KMO, XRCC5 PARP1 427/4885KDM4E 305/4885ALDH1A1 2202/4885

“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.