SCHEMBL4545218

SCHEMBL4545218

N#CC(C(=O)O)=C1CCCCC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
GRIK1 P39086 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6622150 0.98 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL28158867 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL2449598 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL6836877 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL16967925 0.80 LMNA (0.36) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL18726773 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL11417303 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL5641654 0.75 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL15804810 0.75 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL4185553 0.75 SETD7 (0.43) SMN1; SMN2LMNAALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP claimed
US-11603368-B2 Fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-03-14 US disclosed
US-11492347-B2 Fused thiophene derivatives and their uses ENYO PHARMA (FR) 2022-11-08 US disclosed
CN-113181924-A High-strength dehydrogenation catalyst and preparation method and application thereof 万华化学集团股份有限公司 2021-07-30 CN disclosed
CN-106928038-B Method for preparing cyclohexanone by oxidizing cyclohexanol with hydrogen peroxide at normal temperature 江苏工程职业技术学院 2021-04-06 CN disclosed
CN-106892805-B Synthesis method of 4- (4-hydroxyphenyl) cyclohexanone 西安瑞联新材料股份有限公司 2021-02-23 CN disclosed
CN-212467604-U Cyclohexanone air compressor machine residual gas collection device 山西潞宝兴海新材料有限公司 2021-02-05 CN disclosed
EP-3749659-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
EP-3749658-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP disclosed
EP-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 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 (3 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-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH SMN1; SMN2 4008/4885LMNA 4703/4885ALDH1A1 2143/4885
US-11492347-B2 Fused thiophene derivatives and their uses FTH1, SLC40A1, FECH SMN1; SMN2 4008/4885LMNA 4703/4885ALDH1A1 2143/4885
US-11603368-B2 Fused thiophene derivatives and their uses FTH1, SLC40A1, FECH SMN1; SMN2 4008/4885LMNA 4703/4885ALDH1A1 2143/4885

“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.