SCHEMBL2023850

SCHEMBL2023850

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ 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
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 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
SCHEMBL2021494 0.90 TSHR (0.45) TYRTSHRGABRA1GABRB2CYSLTR2
SCHEMBL2020815 0.88 TSHR (0.46) TYRTSHRGABRA1GABRB2HTT
SCHEMBL1841110 0.88 TYR (0.41) TYRTSHRHTTMEN1TP53
SCHEMBL2021948 0.86 BID (0.47) TYRTSHRHTTMEN1TP53
SCHEMBL2021530 0.84 BID (0.49) TYRTSHRHTTMEN1TP53
SCHEMBL2016992 0.84 BID (0.49) TYRTSHRHTTMEN1TP53
SCHEMBL2023591 0.83 TSHR (0.50) TYRTSHRGABRA1GABRB2CYSLTR2
SCHEMBL2016447 0.83 TSHR (0.51) TYRTSHRGABRA1GABRB2HTT
SCHEMBL2018232 0.82 TYR (0.43) TYRTSHRHTTMEN1TP53
SCHEMBL1953161 0.81 TYR (0.39) TYRTSHRELANECTSGGCGR

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 2998/4885GABRA1 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.

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