SCHEMBL3257965

SCHEMBL3257965

C=CCOC(=O)SCC=C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
TRPA1 O75762 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX5 P09917 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APP P05067 2/20 0.31
PKM P14618 1/20 0.31
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL16360618 0.80
SCHEMBL14718622 0.80
SCHEMBL4427482 0.78 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL4434217 0.78 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9435890 0.78 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL14214710 0.77 CYP3A4 (0.36) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL8650930 0.74
SCHEMBL6697363 0.74 CYP3A4 (0.33) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL14719798 0.74
SCHEMBL6429741 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462793-A Glycosylation and alkylation method with participation of benzoiodooxavaleryl reagent 华中科技大学 2025-02-18 CN claimed
US-20070191288-A1 Treatments for Benign Tumors, Cancers, Neoplasias, and/or Other Inflammatory Disorders or Diseases SHAPIRA NATHAN A 2007-08-16 US claimed
EP-0896972-B1 METHOD FOR PRODUCING A SELENIZED TRANSPARENT OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2006-11-29 EP claimed
US-20040191310-A1 Treatments for benign tumors, cancers, neoplasias, and/or other inflammatory disorders or diseases UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2004-09-30 US claimed
WO-2004050081-A1 TREATMENTS FOR BENIGN TUMORS, CANCERS, NEOPLASIAS, AND/OR OTHER INFLAMMATORY DISORDERS OR DISEASES UNIVERSITY OF FLORIDA (US) 2004-06-17 WO claimed
EP-1345602-A2 TREATMENTS FOR NEUROGENETIC DISORDERS, IMPULSE CONTROL DISORDERS, AND WOUND HEALING UNIVERSITY OF FLORIDA (US) 2003-09-24 EP claimed
US-20030166830-A1 Selenium-containing transparent optical material OKAZAKI KOJU (JP) 2003-09-04 US claimed
US-20030149021-A1 Piperazine mono(dithio)carbamate ester compounds and analogs thereof: preparation method and uses thereof MEDINOX, INC. 2003-08-07 US claimed
WO-2002096869-A2 PIPERAZINE MONO(DITHIO)CARBAMATE ESTER COMPOUNDS AND ANALOGS THEREOF PEKING UNIVERSITY SCHOOL OF PHARMACEUTICAL SCIENCES (CN) 2002-12-05 WO claimed
US-6482918-B2 HIGH REFRACTIVE INDEX, LOW DISPERSION AND EXCELLENT OPTICAL PROPERTY, AND IS USED FOR A GLASSES LENS, CAMERA LENS, PRISM, SUBSTRATE FOR AN INFORMATION RECORDING MEDIUM, PICK UP LENS, OPTICAL FIBER, OPTICAL FILTER MITSUI CHEMICALS, INC. (JP) 2002-11-19 US claimed
US-5384327-A Anticonvulsant sorbopyranose sulfamates MCNEILAB, INC. (US) 1995-01-24 US claimed
WO-1994014827-A1 ANTICONVULSANT SORBOPYRANOSE SULFAMATES MCNEILAB, INC. (US) 1994-07-07 WO claimed
US-5089116-A For sulfide minerals ESTABLECIMIENTOS INDUSTRIALES QUIMICOS OXIQUIM S.A. (CL) 1992-02-18 US claimed
US-4886595-A RECOVEY OF SULFIDES ESTABLECIMIENTOS INDUSTRALES QUIMICOS OXIQUIM S.A. (CL) 1989-12-12 US claimed
US-4822483-A DIAMINE OR AMIDE AND THIOCARBONATE, THIOCARBAMATE, THIOPHOSPHATE, MERCAPTAN, XANTHIC ESTER THE DOW CHEMICAL COMPANY (US) 1989-04-18 US claimed
US-4702822-A ORGANIC SULFIDE WITH ALKYL THIOCARBONATE, THIONACARBAMATEA, OR THIOPHOSPHATE THE DOW CHEMICAL COMPANY (US) 1987-10-27 US claimed
US-4684459-A Collector compositions for the froth flotation of mineral values THE DOW CHEMICAL COMPANY (US) 1987-08-04 US claimed
WO-1987003221-A1 NOVEL COLLECTORS FOR FROTH FLOTATION OF MINERALS THE DOW CHEMICAL COMPANY (US) 1987-06-04 WO claimed
WO-1987000451-A1 NOVEL COLLECTOR COMPOSITION FOR FROTH FLOTATION THE DOW CHEMICAL COMPANY (US) 1987-01-29 WO claimed
US-4354980-A Process for producing alkyl xanthogen alkylformates CROZIER RONALD D G 1982-10-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030149021-A1 Piperazine mono(dithio)carbamate ester compounds and analogs thereof: preparation method and uses thereof SIRT5, HDAC5, AADAC CYP3A4 498/4885TSHR 2035/4885MAPT 2541/4885
US-20070191288-A1 Treatments for Benign Tumors, Cancers, Neoplasias, and/or Other Inflammatory Disorders or Diseases TNF, GRIK5, PTGES3 CYP3A4 1365/4885TSHR 4069/4885MAPT 568/4885
US-20040191310-A1 Treatments for benign tumors, cancers, neoplasias, and/or other inflammatory disorders or diseases TNF, PTGES3, GRIK5 CYP3A4 1325/4885TSHR 4089/4885MAPT 593/4885

“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.