SCHEMBL444990

SCHEMBL444990

COC(=O)CCCCC#N

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL5977259 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5977199 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL3044294 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5979524 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5978450 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5978990 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5976933 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5978617 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLL3MBTL1
SCHEMBL5360417 0.93
SCHEMBL1050327 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4119665-A Manufacture of 6-aminocaproamide BASF AKTIENGESELLSCHAFT (DE) 1978-10-10 US claimed
JP-6316555-A None JP disclosed
CN-116655494-A Preparation method of adiponitrile 重庆华峰化工有限公司 2023-08-29 CN disclosed
US-11742522-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2023-08-29 US disclosed
US-11742522-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2023-08-29 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
US-20210320333-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY MURATA MANUFACTURING CO., LTD. (JP) 2021-10-14 US disclosed
WO-2020168152-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
EP-0373579-A1 Manufacture of 5-cyanovaleric acid and its esters using cyclic cosolvents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-20 EP disclosed
US-4933483-A Manufacture of 5-cyanovaleric acid and its esters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-12 US disclosed
US-4508660-A Carbonylation of olefinically unsaturated nitriles and acids using a sulfone solvent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-02 US disclosed
EP-0023751-B1 PROCESS FOR PRODUCING FIVE, SIX OR SEVEN MEMBERED SATURATED NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE STANDARD OIL COMPANY (US) 1983-12-14 EP disclosed
US-4393215-A Cleavage of dialkoxyketoxime ALLIED CORPORATION (US) 1983-07-12 US disclosed
US-4301090-A USING A POLYAMINE LIGAND PROMOTER TO FORM ESTERS, ALDEHYDES, AND AMIDES STANDARD OIL COMPANY 1981-11-17 US disclosed
US-4250093-A HYDROGENATION-CYCLIZATION OF B-, G-, OR D-CYANO ESTERS USING A RUTHENIUM OR IRON METAL CATALYST THE STANDARD OIL COMPANY (OHIO) 1981-02-10 US disclosed
US-4235744-A Carbonylation of olefinically unsaturated compounds STANDARD OIL COMPANY (OHIO) (US) 1980-11-25 US disclosed
US-4119665-A Manufacture of 6-aminocaproamide BASF AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed
US-4060543-A Manufacture of 5-cyanovaleric acid and its esters BASF AKTIENGESELLSCHAFT (DT) 1977-11-29 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TSHR 798/4885LMNA 4193/4885ALDH1A1 2862/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885LMNA 4193/4885ALDH1A1 2862/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885LMNA 4193/4885ALDH1A1 2862/4885

“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.