SCHEMBL2019657

SCHEMBL2019657

CCc1ccccc1C(C)C(C)c1ccc(O)c(C(C)C(C)c2ccccc2CC)c1C(C)C(C)c1ccccc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL1844737 0.89 TSHR (0.46) TSHRGABRA1GABRB2OPRM1OPRD1
SCHEMBL2018205 0.88 TSHR (0.39) TSHRGABRA1GABRB2KDM4EHTT
SCHEMBL2017623 0.86 GABRA1 (0.38) TSHRGABRA1GABRB2HTTALOX15
SCHEMBL2020279 0.85 CYSLTR2 (0.39) TSHR
SCHEMBL2024316 0.84 CYSLTR2 (0.44) TSHRHTTALOX15CYP3A4
SCHEMBL2025311 0.83 CYSLTR2 (0.46) TSHRHTTALOX15CYP3A4
SCHEMBL2023177 0.83 CYSLTR2 (0.46) TSHRHTTALOX15CYP3A4
SCHEMBL2021339 0.83 CYSLTR2 (0.46) TSHRHTTALOX15CYP3A4
SCHEMBL2018806 0.83 CYSLTR2 (0.46) TSHRHTTALOX15CYP3A4
SCHEMBL2023168 0.83 CYSLTR2 (0.46) TSHRHTTALOX15CYP3A4

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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