SCHEMBL3202121

SCHEMBL3202121

CCC(C#N)(CC)OP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33

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
SCHEMBL7006858 0.88 SMPD1 (0.41) SMPD1LPAR3LPAR1LPAR2
SCHEMBL3202115 0.82 TSHR (0.31)
SCHEMBL11245641 0.78 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2
SCHEMBL9729488 0.78 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2
SCHEMBL17417120 0.72 LPAR2 (0.32) SMPD1LPAR3LPAR2
SCHEMBL11208828 0.72 SMPD1 (0.33) SMPD1
Phosphoric Acid SCHEMBL7079258 0.72 SMPD1 (0.30) SMPD1
SCHEMBL5982297 0.70 SMPD1 (0.32) SMPD1
SCHEMBL10422584 0.70 SMPD1 (0.32) SMPD1
SCHEMBL433467 0.69 SMPD1 (0.43) SMPD1LPAR3LPAR1LPAR2

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-115888415-A Preparation method of nanofiltration membrane and nanofiltration membrane prepared by same 沃顿科技股份有限公司 2023-04-04 CN claimed
CN-114583383-B Heat-resistant flame-retardant composite diaphragm and preparation method and application thereof 潍坊科技学院 2023-10-31 CN disclosed
CN-115888415-A Preparation method of nanofiltration membrane and nanofiltration membrane prepared by same 沃顿科技股份有限公司 2023-04-04 CN disclosed
US-8318933-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD (IN) 2012-11-27 US disclosed
US-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-25 US disclosed
EP-2079712-A2 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2009-07-22 EP disclosed
WO-2008053334-A2 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2008-05-08 WO disclosed
WO-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed
WO-2006076845-A1 PROCESS FOR PRODUCING ROSUVASTATIN CALCIUM, INTERMEDIATE FOR THE PREPARATION OF THE SAME AND PROCESS FOR PRODUCING THE INTERMEDIATE ANHUI QINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD (CN) 2006-07-27 WO disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
US-5607670-A 8,10-PENTADECADIEN-1-OL AND 9-PENTADECEN-1-OL ACETATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-03-04 US disclosed
US-4622401-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-11-11 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4347251-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-08-31 US disclosed
US-4282223-A ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 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-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1I, CACNA1S, CACNA1F SMPD1 469/4885LPAR3 1821/4885LPAR1 1986/4885

“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.