SCHEMBL996344

SCHEMBL996344

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.32
MME P08473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ADAM17 P78536 5/20 0.31
ESRRB O95718 1/20 0.31
CHRM1 P11229 1/20 0.31
MMP1 P03956 3/20 0.31
MMP9 P14780 3/20 0.31
MMP13 P45452 3/20 0.31

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
SCHEMBL16406944 1.00 CTSK (0.38) CTSKSMN1; SMN2GRIK1GRIK2CA14
SCHEMBL19384549 1.00 CTSK (0.38) CTSKSMN1; SMN2GRIK1GRIK2CA14
SCHEMBL29506634 0.81 GRIK1 (0.38) SMN1; SMN2GRIK1GRIK2CA14CA12
SCHEMBL9623059 0.81 GRIK1 (0.38) SMN1; SMN2GRIK1GRIK2CA14CA12
SCHEMBL14317200 0.81 ALDH1A1 (0.37) CTSKGRIK1GRIK2HSD17B10CHRM1
SCHEMBL16077000 0.81 GRIK1 (0.38) SMN1; SMN2GRIK1GRIK2CA14CA12
SCHEMBL9623996 0.81 ALDH1A1 (0.37) CTSKGRIK1GRIK2HSD17B10CHRM1
SCHEMBL16080155 0.80 CTSK (0.39) CTSKSMN1; SMN2GRIK1GRIK2CA14
SCHEMBL13101794 0.79 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12MME
SCHEMBL10129866 0.78 SMN1; SMN2 (0.33) SMN1; SMN2CA14CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503595-B A kind of preparation method of the methyl of R types 2 oneself 4 ynoic acid methyl esters 上海北卡医药技术有限公司 2017-07-07 CN claimed
CN-114957326-A Synthesis method of beraprost sodium phosphine ylide intermediate 吉尔多肽生物制药(大连市)有限公司 2022-08-30 CN disclosed
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
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
EP-0087237-B1 CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-14 EP disclosed
EP-0086612-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-07 EP disclosed
US-4533749-A 9-Substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1985-08-06 US disclosed
US-4487960-A 9-Substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1984-12-11 US disclosed
US-4486598-A ANTIULCER, ANTICOAGULANT, ANTIASTHMA THE UPJOHN COMPANY (US) 1984-12-04 US disclosed
EP-0092352-A1 9-Substituted carbacyclins THE UPJOHN COMPANY (US) 1983-10-26 EP disclosed
EP-0087237-A1 Carbacyclin analogues THE UPJOHN COMPANY (US) 1983-08-31 EP disclosed
EP-0086612-A1 9-Substituted carbacyclin analogues THE UPJOHN COMPANY (US) 1983-08-24 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 CTSK 89/4885SMN1; SMN2 3699/4885GRIK1 369/4885
US-11008594-B2 Process for the preparation of triple-bond-containing optically active carboxylic acids, carboxylate salts and carboxylic acid derivatives ACADM, CES1, ACE CTSK 89/4885SMN1; SMN2 3699/4885GRIK1 369/4885

“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.