SCHEMBL2020662

SCHEMBL2020662

CCCc1ccc(CC(C)c2ccccc2O)c(CCC)c1CCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
GCGR P47871 2/20 0.36
POLB P06746 2/20 0.36
HTR1A P08908 1/20 0.34
ELANE P08246 2/20 0.34
CTSG P08311 2/20 0.34
PRKCI P41743 1/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AB1 P08238 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RORC P51449 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
SCHEMBL2025251 0.93 TSHR (0.53) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL2016447 0.88 TSHR (0.51) TSHRGABRA1GABRB2GCGRELANE
SCHEMBL1841465 0.87 TSHR (0.39) TSHRGABRA1GABRB2GCGRELANE
SCHEMBL2022990 0.86 TSHR (0.59) TSHRGABRA1GABRB2POLBHTR1A
SCHEMBL1955488 0.85 TSHR (0.40) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL1952903 0.84 TSHR (0.45) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL1952300 0.83 TSHR (0.35) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL1952591 0.82 TSHR (0.40) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL2020815 0.82 TSHR (0.46) TSHRGABRA1GABRB2GCGRPOLB
SCHEMBL2022485 0.81 TSHR (0.58) TSHRGABRA1GABRB2POLBELANE

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.