SCHEMBL8750929

SCHEMBL8750929

CC1(C)CC(NC=O)CC(C)(CNC=O)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ADH1B P00325 4/20 0.33
ADH1A P07327 4/20 0.33
ADH1C P00326 3/20 0.31
ADH7 P40394 2/20 0.31
ADH4 P08319 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
SCHEMBL13592786 0.85 TSHR (0.46) TSHR
SCHEMBL18940693 0.81 TSHR (0.52) TSHR
SCHEMBL25477688 0.81 TSHR (0.52) TSHR
SCHEMBL21165746 0.81 TSHR (0.52) TSHR
SCHEMBL13009631 0.81 TSHR (0.52) TSHR
SCHEMBL13038404 0.81 TSHR (0.38) TSHRADH1BADH1AADH1CADH7
SCHEMBL20457818 0.80 TSHR (0.51) TSHR
SCHEMBL90869 0.80 ADH1B (0.46) TSHRADH1BADH1AADH1CADH7
SCHEMBL13953974 0.79 TSHR (0.72) TSHR
SCHEMBL14037772 0.78 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180146665-A1 CLICKABLE ANTIMICROBIAL MOLECULES AND POLYMERS ALEO BME INC (US) 2018-05-31 US disclosed
US-9962923-B2 Method for providing lithographic printing plates AGFA NV (BE) 2018-05-08 US disclosed
US-8377425-B2 Long wearing cosmetic compositions AVON PRODUCTS, INC. (US) 2013-02-19 US disclosed
US-20070154440-A1 Long wearing cosmetic compositions AVON PRODUCTS, INC. 2007-07-05 US disclosed
EP-0609786-B1 Process for producing urethane compound MITSUBISHI GAS CHEMICAL CO (JP) 1997-04-09 EP disclosed
US-5391805-A Process for producing urethane compound MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 1995-02-21 US disclosed
EP-0609786-A1 Process for producing urethane compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-10 EP disclosed
EP-0436800-B1 Process for producing isocyanate compound MITSUBISHI GAS CHEMICAL CO (JP) 1994-02-02 EP disclosed
US-5166414-A Process for producing isocyanate compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-11-24 US disclosed
EP-0436800-A1 Process for producing isocyanate compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-07-17 EP 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-20070154440-A1 Long wearing cosmetic compositions CUTA, PUF60, LPL TSHR 1620/4885ADH1B 2981/4885ADH1A 3480/4885
US-20180146665-A1 CLICKABLE ANTIMICROBIAL MOLECULES AND POLYMERS TMIGD3, HNMT, TLR9 TSHR 1995/4885ADH1B 4698/4885ADH1A 4014/4885

“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.