SCHEMBL7036341

SCHEMBL7036341

CCOC(=O)C(Br)CCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.48
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CYP1A2 P05177 1/20 0.36
CPB2 Q96IY4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL7971156 0.94 ZDHHC7 (0.52) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL16860589 0.92 ZDHHC7 (0.55) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL14155778 0.92 ZDHHC7 (0.55) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL1415326 0.89 ZDHHC7 (0.59) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL1021505 0.89 ZDHHC7 (0.53) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL1415641 0.89 ZDHHC7 (0.53) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL9620497 0.87 ZDHHC7 (0.62) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL698352 0.87 ALDH1A1 (0.44) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL729131 0.85 ZDHHC7 (0.60) ZDHHC7ALDH1A1TRPA1LCKPPARD
SCHEMBL7353073 0.85 ZDHHC7 (0.60) ZDHHC7ALDH1A1TRPA1LCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186112-A Universal fluorescent probe for selectively and sensitively detecting carbonyl halide 遵义医科大学 2023-12-08 CN disclosed
CN-100404516-C Process for preparing hexahydro pyridazine tricarboxylate DALIAN LVYUAN PHARMACY CO LTD (CN) 2008-07-23 CN disclosed
CN-1240710-C Process for preparing bicyclic compounds and use of the process for preparing ICE inhibitor compounds AIWENTIS PHARMACEUTIC OY (FR) 2006-02-08 CN disclosed
CN-1654458-A Process for preparing hexahydro pyridazine tricarboxylate DALIAN LUYUAN PHARMACY CO LTD (CN) 2005-08-17 CN disclosed
CN-1167711-C Octahydro-6,10-dioxo-6h-pyridazino/1,2-a//1,2/diazepin-1-carboxylic acid derivatives, prepn. method and use for preparing therapeutically active compounds ���˹��ء���³�� 2004-09-22 CN disclosed
US-20030130269-A1 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds AVENTIS PHARMA S.A. 2003-07-10 US disclosed
US-6570012-B2 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, useful for preperation of therapeutically active compounds AVENTIS PHARMA S.A. (FR) 2003-05-27 US disclosed
US-6548664-B1 Alkylation, hydrogenation, cyclization, condensation, deracemization AVENTIS PHARMA S.A. (FR) 2003-04-15 US disclosed
US-6512111-B1 A method for preparing compounds of formula (I) ) wherein cyclization is carried out in a basic medium and in the presence of a phosphonic acid derivative and the use of said method as an intermediate step for preparing a compound AVENTIS PHARMA S.A. (FR) 2003-01-28 US disclosed
US-20020128473-A1 Derivatives of octahydro-6,10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds AVENTIS PHARMA S.A. 2002-09-12 US disclosed
CN-1343218-A Method for preparing bicyclic compounds and use of said method for preparing inhibitor compound AIWENTIS PHARMACEUTIC OY (FR) 2002-04-03 CN disclosed
WO-2001056997-A1 PROCESS FOR PREPARING PIPERAZIC ACID DERIVATIVES THEREOF LONZA AG (CH) 2001-08-09 WO disclosed
CN-1306539-A Octahydro-6,10-dioxo-6h-pyridazino/1,2-a//1,2/diazepin-1-carboxylic acid derivatives, prepn. method and use for preparing therapeutically active compounds HOECHST MARION ROUSSEL INC (FR) 2001-08-01 CN disclosed
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
EP-0309624-B1 COMPOSITION FOR ENHANCING PERCUTANEOUS ADMINISTRATION OF MEDICINE NITTO DENKO CORPORATION (JP) 1992-03-11 EP disclosed
US-5059628-A Proline or prolinol ester to enhance absorption NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-10-22 US disclosed
EP-0309624-A1 Composition for enhancing percutaneous administration of medicine NITTO DENKO CORPORATION (JP) 1989-04-05 EP disclosed
US-4234744-A Process for the production of aminoacid hydrochlorides/or diaminoacid dihydrochlorides DEUTSCHE GOLD- UND SILBER SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-11-18 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 (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-20030130269-A1 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds CYP2S1, DEGS1, GRIK1 ZDHHC7 1542/4885ALDH1A1 575/4885TRPA1 2907/4885
US-20020128473-A1 Derivatives of octahydro-6,10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds CYP2D6, THPO, CYP2B6 ZDHHC7 778/4885ALDH1A1 16/4885TRPA1 3326/4885

“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.