SCHEMBL2016447

SCHEMBL2016447

CCCCc1ccc(CC(C)c2ccccc2O)c(CCCC)c1CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
TYR P14679 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
GCGR P47871 1/20 0.36
CYSLTR2 Q9NS75 5/20 0.36
CYSLTR1 Q9Y271 5/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2026534 0.93 TSHR (0.50) TSHRTYRGABRA1GABRB2CYSLTR2
SCHEMBL2018769 0.89 TSHR (0.49) TSHRGCGRCYSLTR2CYSLTR1ALOX5
SCHEMBL2020662 0.88 TSHR (0.54) TSHRGABRA1GABRB2ELANECTSG
SCHEMBL2022543 0.88 TSHR (0.47) TSHRTYRCYSLTR2CYSLTR1MAPT
SCHEMBL2018385 0.88 TSHR (0.47) TSHRTYRCYSLTR2CYSLTR1MAPT
SCHEMBL1841143 0.88 TYR (0.38) TSHRTYRELANECTSGGCGR
SCHEMBL2024567 0.87 TSHR (0.56) TSHRTYRGABRA1GABRB2CYSLTR2
SCHEMBL1953161 0.86 TYR (0.39) TSHRTYRELANECTSGGCGR
SCHEMBL1951398 0.84 TSHR (0.42) TSHRTYRCYSLTR2CYSLTR1MAPK1
SCHEMBL1954848 0.84 BID (0.37) TSHRTYRELANECTSGMAPT

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 TSHR 2998/4885TYR 886/4885GABRA1 1573/4885

“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.