SCHEMBL4799786

SCHEMBL4799786

C/C(N)=C(/C(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
ACHE P22303 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4822726 1.00 LMNA (0.37) LMNAALOX15BLMPMP22LDHA
SCHEMBL7266899 0.83 TP53 (0.45) LMNAALOX15BLMPMP22LDHA
SCHEMBL126750 0.78 TP53 (0.41) SLC7A5TP53FFAR3LCKFYN
SCHEMBL125330 0.78 TP53 (0.41) SLC7A5TP53FFAR3LCKFYN
SCHEMBL125331 0.78 TP53 (0.41) SLC7A5TP53FFAR3LCKFYN
SCHEMBL14584344 0.77 FFAR3 (0.35) TP53FFAR3LCKFYNTDP1
SCHEMBL304296 0.76 TP53 (0.39) SLC7A5TP53FFAR3LCKFYN
SCHEMBL304298 0.76 TP53 (0.39) SLC7A5TP53FFAR3LCKFYN
SCHEMBL7094019 0.75 GABRR1 (0.33) LMNAALOX15BLMPMP22
SCHEMBL5611346 0.74 TP53 (0.33) TP53FFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US claimed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 US claimed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 WO claimed
CN-113317995-B Dental restoration material for oral science and preparation method thereof 云南中辉口腔医院有限公司 2022-06-07 CN disclosed
CN-102174012-B Preparation method of nimodipine SHANDONG XINHUA PHARMACEUTICAL 2013-03-20 CN disclosed
CN-102174012-A Preparation method of nimodipine SHANDONG XINHUA PHARMACEUTICAL 2011-09-07 CN disclosed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US disclosed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US disclosed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 US disclosed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 US disclosed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 WO disclosed
US-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 WO disclosed
EP-0461264-A1 ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4675329-A Isopropyl 2-(3-trifluoromethylphenoxy)-ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate as vaso-dilators BAYER AKTIENGESELLSCHAFT (DE) 1987-06-23 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 (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-20060167063-A1 Process for the manufacture of isradipine ACMSD, AASDHPPT, DDC LMNA 2467/4885ALOX15 1035/4885BLM 4854/4885

“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.