SCHEMBL656011

SCHEMBL656011

Nc1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
CYP2A6 P11509 1/20 0.53
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKCI P41743 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PBRM1 Q86U86 1/20 0.46
TYMS P04818 1/20 0.43
HSD17B1 P14061 1/20 0.42
CA9 Q16790 1/20 0.42
GRM5 P41594 1/20 0.40
BRD4 O60885 2/20 0.40
ATAD2 Q6PL18 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30067461 1.00 CASP1 (0.55) CASP1CASP7HSD17B10MAOAMAOB
SCHEMBL4878376 0.96 CASP1 (0.55) CASP1CASP7HSD17B10MAOAMAOB
SCHEMBL30513596 0.88 CASP1 (0.70) CASP1CASP7HSD17B10MAOBMAPK1
SCHEMBL460333 0.88 CASP1 (0.70) CASP1CASP7HSD17B10MAOBMAPK1
Hydrochloric Acid SCHEMBL3873080 0.86 CASP1 (0.68) CASP1CASP7HSD17B10MAOBMAPK1
SCHEMBL929312 0.84 CASP1 (0.78) CASP1CASP7HSD17B10MAOAMAOB
Hydrochloric Acid SCHEMBL23671046 0.82 CASP1 (0.75) CASP1CASP7HSD17B10MAOAMAOB
SCHEMBL3204625 0.80 CASP1 (0.78) CASP1CASP7HSD17B10MAOAMAOB
Hydrochloric Acid SCHEMBL5113010 0.78 CASP1 (0.75) CASP1CASP7HSD17B10MAOAMAOB
SCHEMBL5543621 0.78 MAOA (0.55) MAOAMAOBCYP2A6MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406404-A Circuit board ink-jet printing ink stripping agent and preparation method and application thereof 珠海市板明科技有限公司 2024-07-30 CN claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
US-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS TREELINE BIOSCIENCES INC (US) 2026-01-22 US disclosed
WO-2025245127-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-11-27 WO disclosed
EP-4622716-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-10-01 EP disclosed
WO-2025038936-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-02-20 WO disclosed
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
CN-118406404-A Circuit board ink-jet printing ink stripping agent and preparation method and application thereof 珠海市板明科技有限公司 2024-07-30 CN disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed
US-11390733-B2 Elastomeric formulations comprising branched EPDM polymers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-07-19 US disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0275131-B1 HERBICIDAL OXOINDANES AND TETRAHYDRONAPHTHALENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-23 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
US-5032598-A Nitrogens containing heterocyclic compounds as class III antiarrhythmic agents MERCK & CO., INC. (US) 1991-07-16 US disclosed
EP-0431945-A2 Antiarrhythmic agents MERCK & CO. INC. (US) 1991-06-12 EP disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed
CN-1030575-A Oxo-1,2-indane and tetrahydronaphthalenherbicide herbicide SHELL INT RESEARCH (NL) 1989-01-25 CN disclosed
EP-0275131-A1 Herbicidal oxoindanes and tetrahydronaphthalenes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-20 EP 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 (2 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-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS KRAS, NRAS, G3BP2 CASP1 3330/4885CASP7 2499/4885HSD17B10 2796/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 CASP1 2266/4885CASP7 1485/4885HSD17B10 2152/4885

“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.