SCHEMBL2020882

SCHEMBL2020882

CCCc1cccc(C(C)C(C)c2ccccc2O)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GCGR P47871 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ IAPP P10997 2/20 0.36
▸ ELANE P08246 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ BID P55957 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ BCL2L1 Q07817 2/20 0.34
▸ BAK1 Q16611 2/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL2020815 0.89 TSHR (0.46) TSHRGABRA1GABRB2HTR1ATAAR1
SCHEMBL1842265 0.88 TSHR (0.38) TSHRGABRA1GABRB2HTR1AGCGR
SCHEMBL2021494 0.88 TSHR (0.45) TSHRGABRA1GABRB2HTR1AIAPP
SCHEMBL2022049 0.87 TSHR (0.53) TSHRGABRA1GABRB2HTR1ATAAR1
SCHEMBL2021948 0.87 BID (0.47) TSHRGCGRBIDMCL1BCL2L1
SCHEMBL2021530 0.85 BID (0.49) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL2016992 0.85 BID (0.49) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL2022483 0.82 TSHR (0.33) TSHRGABRA1GABRB2HTR1AGCGR
SCHEMBL1952903 0.82 TSHR (0.45) TSHRGABRA1GABRB2HTR1ATAAR1
SCHEMBL2025251 0.82 TSHR (0.53) TSHRGABRA1GABRB2HTR1AGCGR

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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