SCHEMBL2022485

SCHEMBL2022485

CCc1ccc(CC(C)c2ccccc2O)c(CC)c1CC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
POLB P06746 2/20 0.37
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
HTT P42858 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32

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
SCHEMBL2021180 0.92 TSHR (0.56) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL1840008 0.86 TSHR (0.41) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL2022076 0.85 TSHR (0.63) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL1954619 0.84 TSHR (0.42) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL1955348 0.83 TSHR (0.47) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL1954633 0.82 GABRA1 (0.37) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL2020662 0.81 TSHR (0.54) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL1953475 0.81 TSHR (0.42) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL2025112 0.81 TSHR (0.49) TSHRGABRA1GABRB2POLBALOX15
SCHEMBL1841288 0.80 TSHR (0.41) TSHRGABRA1GABRB2POLBALOX15

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.