SCHEMBL2023591

SCHEMBL2023591

CCCCc1ccccc1C(C)C(C)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ GABRA1 P14867 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ CYSLTR2 Q9NS75 8/20 0.43
▸ CYSLTR1 Q9Y271 8/20 0.43
▸ TYR P14679 1/20 0.42
▸ BID P55957 3/20 0.42
▸ MCL1 Q07820 3/20 0.42
▸ BCL2L1 Q07817 2/20 0.42
▸ BAK1 Q16611 2/20 0.42
▸ KAT8 Q9H7Z6 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ KAT2A Q92830 1/20 0.42
▸ KAT2B Q92831 1/20 0.42
▸ KAT5 Q92993 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL2023692 0.95 CYSLTR2 (0.49) TSHRGABRA1GABRB2CYSLTR2CYSLTR1
SCHEMBL2022559 0.94 CYSLTR2 (0.51) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2022507 0.94 CYSLTR2 (0.51) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2024889 0.94 CYSLTR2 (0.51) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2021545 0.94 CYSLTR2 (0.51) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2022891 0.94 CYSLTR2 (0.51) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2022049 0.90 TSHR (0.53) TSHRGABRA1GABRB2CYSLTR2CYSLTR1
SCHEMBL2021494 0.88 TSHR (0.45) TSHRGABRA1GABRB2CYSLTR2CYSLTR1
SCHEMBL1840337 0.88 BID (0.41) TSHRCYSLTR2CYSLTR1TYRBID
SCHEMBL2023850 0.83 TYR (0.44) TSHRGABRA1GABRB2CYSLTR2CYSLTR1

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 2998/4885GABRA1 1573/4885GABRB2 1720/4885

“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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