SCHEMBL2071702

SCHEMBL2071702

C=C(C)CCC[C@H](C)CO

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
PTPN1 P18031 1/20 0.38

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
SCHEMBL1245723 1.00 TSHR (0.44) TSHRPTPN1
SCHEMBL27944429 0.93 TSHR (0.42) TSHRPTPN1
SCHEMBL14561024 0.85
SCHEMBL27684310 0.84 PTPN1 (0.41) PTPN1
SCHEMBL1245695 0.84 ALDH1A1 (0.43) PTPN1
SCHEMBL24046835 0.84 ALDH1A1 (0.43) PTPN1
SCHEMBL1866665 0.84 ALDH1A1 (0.43) PTPN1
SCHEMBL116734 0.84 ALDH1A1 (0.43) PTPN1
SCHEMBL1296286 0.81 PTPN1 (0.34) PTPN1
SCHEMBL1453540 0.81 PTPN1 (0.34) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509647-A1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS The Procter and Gamble Company (US) 2019-07-17 EP claimed
WO-2018048852-A1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS THE PROCTER & GAMBLE COMPANY (US) 2018-03-15 WO claimed
EP-3509562-A1 AEROSOL COMPOSITIONS The Procter and Gamble Company (US) 2019-07-17 EP disclosed
EP-3509705-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter and Gamble Company (US) 2019-07-17 EP disclosed
EP-3509561-A1 PERFUME COMPOSITIONS The Procter and Gamble Company (US) 2019-07-17 EP disclosed
WO-2018048717-A1 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2018-03-15 WO disclosed
WO-2018048718-A1 AEROSOL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2018-03-15 WO disclosed
WO-2018048719-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2018-03-15 WO disclosed
US-7893268-B2 Epithiolone analogues UNIVERSITY OF TOLEDO (US) 2011-02-22 US disclosed
US-7893268-B2 Epithiolone analogues UNIVERSITY OF TOLEDO (US) 2011-02-22 US disclosed
US-20090258904-A1 Epithiolone Analogues UNIVERSITY OF TOLEDO 2009-10-15 US disclosed
US-20090258904-A1 Epithiolone Analogues UNIVERSITY OF TOLEDO 2009-10-15 US disclosed
WO-2007015929-A2 EPOTHILONE ANALOGUES UNIVERSITY OF TOLEDO (US) 2007-02-08 WO disclosed
US-6156905-A Deoxy epothilones and intermediates utilized in the process for preparing epothilones NOVARTIS AG (CH) 2000-12-05 US disclosed
US-6043372-A USEFUL CHEMICAL INTERMEDIATES FOR ANTICARCINOGENIC EPITHILONES NOVARTIS AG (CH) 2000-03-28 US disclosed
US-5969145-A Process for the production of epothilones and intermediate products within the process NOVARTIS AG (CH) 1999-10-19 US disclosed
EP-0923583-A1 METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS Novartis AG (CH) 1999-06-23 EP disclosed
WO-1998008849-A1 METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS NOVARTIS AKTIENGESELLSCHAFT (CH) 1998-03-05 WO 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-20090258904-A1 Epithiolone Analogues ESRRB, ESR2, ESRRA TSHR 2808/4885PTPN1 4483/4885

“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.