SCHEMBL3211630

SCHEMBL3211630

C#C[CH]c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TRPA1 O75762 1/20 0.45
CA2 P00918 8/20 0.43
CA12 O43570 7/20 0.43
CA9 Q16790 5/20 0.43
NFKB1 P19838 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
JUN P05412 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA4 P22748 2/20 0.42
CA1 P00915 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 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
SCHEMBL2143449 0.77
SCHEMBL3225515 0.76 NFE2L2 (0.54) NFE2L2LMNA
SCHEMBL3230298 0.73 ALDH1A1 (0.52) TRPA1KDM4ENFE2L2MAPTALDH1A1
SCHEMBL3221664 0.71 CYP3A4 (0.41) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL3220923 0.71 HSD11B1 (0.42) NFKB1MAPTALDH1A1NPC1RAB9A
SCHEMBL3219076 0.71 TSHR (0.50) CA2CA9KDM4ECA1MAPT
SCHEMBL717976 0.71 TRPA1 (0.76) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL108389 0.71 TRPA1 (0.76) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL1416793 0.71 TRIM24 (0.62) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL11482511 0.70 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US claimed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US disclosed
EP-0805809-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS State of Oregon through Oregon State Board of Higher Education for and on behalf of Oregon Health Sc. Univ. & Univ. of Oregon (US) 1997-11-12 EP disclosed
WO-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed
US-5475008-A Selective non-competitive antagonists of n-methyl-d-aspartate receptors MERCK SHARP & DOHME LIMITED (GB) 1995-12-12 US disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
EP-0614363-A1 QUINOLONE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-09-14 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
WO-1993010783-A2 QUINOLONE DERIVATIVES AND THEIR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 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 (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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 TRIM24 4006/4885TRIM33 2759/4885TRPA1 567/4885

“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.