SCHEMBL2021097

SCHEMBL2021097

CCCc1ccc(C(C)C(C)c2ccc(O)c(C(C)C(C)c3ccc(CCC)c(CCC)c3CCC)c2C(C)C(C)c2ccc(CCC)c(CCC)c2CCC)c(CCC)c1CCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.36
▸ TYR P14679 4/20 0.32
▸ ALOX5 P09917 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ GCGR P47871 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL2022483 0.89 TSHR (0.33) PRKCITSHRGCGR
SCHEMBL1842928 0.89 TSHR (0.36) PRKCITYRTSHRGCGR
SCHEMBL2018232 0.89 TYR (0.43) TYRALOX5MEN1TP53CYP3A4
SCHEMBL2018205 0.81 TSHR (0.39) PRKCIALOX5TSHRHTTGCGR
SCHEMBL2020815 0.81 TSHR (0.46) PRKCITYRALOX5MEN1TP53
SCHEMBL1842265 0.79 TSHR (0.38) TSHRGCGR
SCHEMBL2018905 0.79 ALOX15 (0.32) ALOX15
SCHEMBL2019389 0.78 TYR (0.38) TYRALOX5MEN1TP53CYP3A4
SCHEMBL1841110 0.78 TYR (0.41) TYRALOX5MEN1TP53CYP3A4
SCHEMBL2025171 0.77 TYR (0.40) TYRALOX5MEN1TP53CYP3A4

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 PRKCI 698/4885TYR 886/4885ALOX5 227/4885

“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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