SCHEMBL1663038

SCHEMBL1663038

CN(C)c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.86
CYP2A13 Q16696 1/20 0.86
ALDH1A1 P00352 6/20 0.54
ALDH3A1 P30838 1/20 0.54
ALDH1A3 P47895 1/20 0.54
MAPT P10636 5/20 0.50
APP P05067 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B3 P37058 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL61517 0.93 CYP2A6 (1.00) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL9789927 0.92 CYP2A6 (0.73) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL28322492 0.91 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL6593779 0.91 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Water SCHEMBL28553448 0.91 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Biphenyl SCHEMBL11048367 0.90 CYP2A6 (0.76) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL20657879 0.88 CYP2A6 (0.91) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Methyl Alcohol SCHEMBL11054490 0.88 CYP2A6 (0.91) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2013092 0.86 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL21738372 0.86 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004807-A Acrylonitrile compound, preparation method thereof and application thereof in polylactic acid fiber material 五邑大学 2025-05-16 CN claimed
CN-111574438-B Red/near-infrared AIE probe, preparation method thereof and application thereof in detection of Abeta aggregates and fibrotic plaques thereof 华东理工大学 2022-10-18 CN claimed
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 US disclosed
CN-120004807-A Acrylonitrile compound, preparation method thereof and application thereof in polylactic acid fiber material 五邑大学 2025-05-16 CN disclosed
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed
CN-111574438-B Red/near-infrared AIE probe, preparation method thereof and application thereof in detection of Abeta aggregates and fibrotic plaques thereof 华东理工大学 2022-10-18 CN disclosed
US-20220214351-A1 FLUORESCENT DYE, PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-07-07 US disclosed
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-17 US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
WO-2010054441-A1 NANOPIGMENTS NVA IP HOLDINGS PTY LTD (AU) 2010-05-20 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2002083641-A2 AMINO-AZA-CYCLOHEXANES FOR THE TREATMENT OF MALARIA ACTELION PHARMACEUTICALS LTD. (CH) 2002-10-24 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK CYP2A6 268/4885CYP2A13 477/4885ALDH1A1 290/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885CYP2A13 661/4885ALDH1A1 355/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 CYP2A6 470/4885CYP2A13 258/4885ALDH1A1 2205/4885
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 CYP2A6 470/4885CYP2A13 258/4885ALDH1A1 2205/4885

“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.