SCHEMBL5870519

SCHEMBL5870519

C=C(C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL3135862 0.87 STAT3 (0.52) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL10593812 0.87 STAT3 (0.44) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL7794014 0.86 STAT3 (0.51) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL10592620 0.85 ALDH1A1 (0.43) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL10458162 0.85 STAT3 (0.54) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL34472509 0.84 STAT3 (0.50) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL2103375 0.84 POLB (0.43) STAT3ALDH1A1
SCHEMBL4727494 0.84 STAT3 (0.56) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL12566164 0.83 TBXA2R (0.41) STAT3CTDSP1SIRT5ALDH1A1CYP3A4
SCHEMBL11272932 0.83 STAT3 (0.49) STAT3CTDSP1SIRT5ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
EP-0881205-A1 Method for production of allyloxystyrene compounds LOCTITE CORPORATION (US) 1998-12-02 EP claimed
US-5633411-A Method for production of allyloxystyrene compounds LOCTITE CORPORATION (US) 1997-05-27 US claimed
EP-3275855-B1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE SHINETSU CHEMICAL CO (JP) 2021-03-17 EP disclosed
US-10138189-B2 Methods for producing 2,6-dimethyl-1,5-heptadien-3-ol and 2,6-dimethyl-1,5-heptadien-3-yl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-11-27 US disclosed
US-20180029964-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-01 US disclosed
EP-3275855-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE Shin-Etsu Chemical Co., Ltd. (JP) 2018-01-31 EP disclosed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US disclosed
US-5633411-A Method for production of allyloxystyrene compounds LOCTITE CORPORATION (US) 1997-05-27 US disclosed
EP-0602254-B1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KK (JP) 1997-01-02 EP disclosed
US-5476913-A Bactericides OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-19 US disclosed
EP-0602254-A1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-22 EP disclosed
EP-0101877-B1 PROCESS FOR THE PREPARATION OF N-ALLYL-O-ALKYL-THIONCARBAMATES AMERICAN CYANAMID COMPANY (US) 1986-11-26 EP disclosed
US-4482500-A Process for the preparation of N-allyl-O-alkyl thionocarbamates AMERICAN CYANAMID COMPANY (US) 1984-11-13 US disclosed
US-4479903-A Process for the preparation of N-allyl-O-alkyl thionocarbamates AMERICAN CYANAMID COMPANY (US) 1984-10-30 US disclosed
EP-0101877-A1 Process for the preparation of N-allyl-o-alkyl-thioncarbamates AMERICAN CYANAMID COMPANY (US) 1984-03-07 EP disclosed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 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-20180029964-A1 METHODS FOR PRODUCING 2,6-DIMETHYL-1,5-HEPTADIEN-3-OL AND 2,6-DIMETHYL-1,5-HEPTADIEN-3-YL ACETATE MSMO1, CYP8B1, ACMSD STAT3 4292/4885CTDSP1 3937/4885SIRT5 1028/4885
US-10138189-B2 Methods for producing 2,6-dimethyl-1,5-heptadien-3-ol and 2,6-dimethyl-1,5-heptadien-3-yl acetate MSMO1, CYP8B1, ACMSD STAT3 4292/4885CTDSP1 3937/4885SIRT5 1028/4885

“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.