SCHEMBL9623059

SCHEMBL9623059

CCC#CCC(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CHRM1 P11229 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
CA12 O43570 1/20 0.31
MME P08473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ESRRB O95718 1/20 0.30
TSHR P16473 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL29506634 1.00 GRIK1 (0.38) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL16077000 1.00 GRIK1 (0.38) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL9624230 0.84 GRIK1 (0.41) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL19403913 0.83 GRIK1 (0.38) GRIK1GRIK2HSD17B10CHRM1KDM4E
SCHEMBL9623114 0.83 GRIK1 (0.38) GRIK1GRIK2HSD17B10CHRM1KDM4E
SCHEMBL10941951 0.81 GRIK1 (0.39) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL16406944 0.81 CTSK (0.38) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL19384549 0.81 CTSK (0.38) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL996344 0.81 CTSK (0.38) GRIK1GRIK2SMN1; SMN2CA1CA2
SCHEMBL7111734 0.78 GRIK1 (0.44) GRIK1GRIK2SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109196111-B Process for producing optically active carboxylic acids, carboxylic acid salts and carboxylic acid derivatives containing triple bonds 奇诺因药物和化学工厂私人有限公司 2022-03-11 CN disclosed
US-11008594-B2 Process for the preparation of triple-bond-containing optically active carboxylic acids, carboxylate salts and carboxylic acid derivatives CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS PRIVATE COMPANY LTD. (HU) 2021-05-18 US disclosed
US-20200123578-A1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2020-04-23 US disclosed
EP-3433375-B1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) 2020-01-29 EP disclosed
EP-3433375-B1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) 2020-01-29 EP disclosed
EP-3433375-A1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES Chinoin Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2019-01-30 EP disclosed
CN-109196111-A The method for being used to prepare the optically active carboxylic acid, carboxylate and carboxylic acid derivates that contain three keys 奇诺因药物和化学工厂私人有限公司 2019-01-11 CN disclosed
WO-2017162667-A1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-09-28 WO disclosed
WO-2017162667-A1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-09-28 WO disclosed
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 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-20200123578-A1 PROCESS FOR THE PREPARATION OF TRIPLE-BOND-CONTAINING OPTICALLY ACTIVE CARBOXYLIC ACIDS, CARBOXYLATE SALTS AND CARBOXYLIC ACID DERIVATIVES ACADM, CES1, ACE GRIK1 369/4885GRIK2 794/4885SMN1; SMN2 3699/4885
US-11008594-B2 Process for the preparation of triple-bond-containing optically active carboxylic acids, carboxylate salts and carboxylic acid derivatives ACADM, CES1, ACE GRIK1 369/4885GRIK2 794/4885SMN1; SMN2 3699/4885

“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.