SCHEMBL2019882

SCHEMBL2019882

CCCCc1ccccc1CC(C)c1ccc(O)c(C(C)Cc2ccccc2CCCC)c1C(C)Cc1ccccc1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
TSHR P16473 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT5 Q92993 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.33
CYSLTR1 Q9Y271 3/20 0.33

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
SCHEMBL2023574 0.96 LIPG (0.41) TYRTSHRLIPGBIDMCL1
SCHEMBL2022308 0.95 LIPG (0.43) TYRTSHRLIPGBIDMCL1
SCHEMBL2024295 0.95 LIPG (0.43) TYRTSHRLIPGBIDMCL1
SCHEMBL2020247 0.95 LIPG (0.43) TYRTSHRLIPGBIDMCL1
SCHEMBL2017834 0.95 LIPG (0.43) TYRTSHRLIPGBIDMCL1
SCHEMBL2019787 0.95 LIPG (0.43) TYRTSHRLIPGBIDMCL1
SCHEMBL2024855 0.92 TSHR (0.38) TSHRPPARGPPARA
SCHEMBL1840482 0.89 TSHR (0.42) TYRTSHRLIPGBIDMCL1
SCHEMBL2020589 0.88 TYR (0.35) TYRBIDMCL1BCL2L1BAK1
SCHEMBL2018619 0.85 TSHR (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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 (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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TYR 886/4885TSHR 2998/4885LIPG 1612/4885

“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.