SCHEMBL2022483

SCHEMBL2022483

CCCc1cccc(C(C)C(C)c2ccc(O)c(C(C)C(C)c3cccc(CCC)c3CCC)c2C(C)C(C)c2cccc(CCC)c2CCC)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ PRKCI P41743 1/20 0.31
▸ GABRA1 P14867 2/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ IAPP P10997 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
SCHEMBL1842265 0.92 TSHR (0.38) TSHRHTR1AGCGRGABRA1GABRB2
SCHEMBL2019389 0.89 TYR (0.38) TSHR
SCHEMBL2021097 0.89 PRKCI (0.36) TSHRGCGRPRKCI
SCHEMBL2025171 0.88 TYR (0.40) TSHR
SCHEMBL2018205 0.87 TSHR (0.39) TSHRHTR1AGCGRPRKCIGABRA1
SCHEMBL2021813 0.87 TYR (0.43) TSHR
SCHEMBL2019503 0.87 TYR (0.43) TSHR
SCHEMBL1842928 0.86 TSHR (0.36) TSHRHTR1AGCGRPRKCIGABRA1
SCHEMBL2017623 0.83 GABRA1 (0.38) TSHRGABRA1GABRG2GABRB3GABRB2
SCHEMBL2020882 0.82 TSHR (0.47) TSHRHTR1AGCGRGABRA1GABRB2

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 2998/4885HTR1A 3203/4885GCGR 2950/4885

“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.

Send feedback