SCHEMBL1073135

SCHEMBL1073135

CC(=O)OCC=C(C)CCC=C(C)CO

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
ALOX15 P16050 2/20 0.73
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
PGGT1B P53609 1/20 0.48
PTPN1 P18031 1/20 0.47
TRPV1 Q8NER1 2/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
UGT1A1 P22309 1/20 0.42
BTN3A1 O00481 1/20 0.42

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
SCHEMBL1073133 1.00 ALDH1A1 (0.73) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL9270945 1.00 ALDH1A1 (0.73) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL3083781 1.00 ALDH1A1 (0.73) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL9270948 1.00 ALDH1A1 (0.73) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL5372580 0.88 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1BTN3A1
SCHEMBL9013663 0.88 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1BTN3A1
SCHEMBL11410939 0.87 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL806725 0.87 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1301763 0.87 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1301765 0.87 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023204271-A1 ANTI-SARS-COV-2 AGENT AND COMPOUND USE 国立大学法人 鹿児島大学 2023-10-26 WO disclosed
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1358144-B1 EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES R & D BIOPHARMACEUTICALS (DE) 2006-12-27 EP disclosed
US-6867333-B2 EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2005-03-15 US disclosed
US-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives R & D BIOPHARMACEUTICALS GMBH (DE) 2004-04-29 US disclosed
EP-1358144-A1 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES Morphochem AG (DE) 2003-11-05 EP disclosed
WO-2002032844-A2 EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES MORPHOCHEM AG (DE) 2002-04-25 WO disclosed
US-5354874-A Intermediates for Sarcophytol A; antitumor, anticarcinogenic agent MITSUBISHI KASEI CORPORATION (JP) 1994-10-11 US disclosed
US-5324869-A Chemical intermediates for sarcophytol a MITSUBISHI KASEI CORPORATION (JP) 1994-06-28 US disclosed
US-5304661-A Chemical intermediate for sarcophytol a MITSUBISHI KASEI CORPORATION (JP) 1994-04-19 US disclosed
US-5245085-A Chemical intermediates for sarcophytol A, an anticancer and antitumor agent MITSUBISHI KASEI CORPORATION (JP) 1993-09-14 US disclosed
EP-0455826-A1 SUBSTITUTED OPEN-CHAIN TERPENE COMPOUND Mitsubishi Chemical Corporation (JP) 1991-11-13 EP disclosed
US-4199519-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-04-22 US disclosed
US-4151357-A FOR PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1979-04-24 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT ALDH1A1 36/4885ALOX15 312/4885FNTA 3062/4885
US-20040082651-A1 Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives COASY, ACOX1, FDFT1 ALDH1A1 1538/4885ALOX15 89/4885FNTA 29/4885

“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.