SCHEMBL2018205

SCHEMBL2018205

CCCc1ccccc1C(C)C(C)c1ccc(O)c(C(C)C(C)c2ccccc2CCC)c1C(C)C(C)c1ccccc1CCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ PRKCI P41743 1/20 0.33
▸ CYSLTR2 Q9NS75 7/20 0.33
▸ CYSLTR1 Q9Y271 7/20 0.33
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GCGR P47871 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
SCHEMBL2020279 0.91 CYSLTR2 (0.39) TSHRCYSLTR2CYSLTR1
SCHEMBL2024316 0.90 CYSLTR2 (0.44) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL1841247 0.89 TSHR (0.43) TSHRADRA2AADRA2BADRA2CGABRA1
SCHEMBL2023168 0.89 CYSLTR2 (0.46) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL2021339 0.89 CYSLTR2 (0.46) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL2023177 0.89 CYSLTR2 (0.46) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL2018806 0.89 CYSLTR2 (0.46) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL2025311 0.89 CYSLTR2 (0.46) TSHRCYSLTR2CYSLTR1ALOX5HTT
SCHEMBL2019657 0.88 TSHR (0.41) TSHRGABRA1GABRB2KDM4EALDH1A1
SCHEMBL2022483 0.87 TSHR (0.33) TSHRGABRA1GABRB2HTR1APRKCI

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 2998/4885ADRA2A 3245/4885ADRA2B 3246/4885

“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.

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