SCHEMBL2018619

SCHEMBL2018619

CCc1ccccc1CC(C)c1ccc(O)c(C(C)Cc2ccccc2CC)c1C(C)Cc1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
RORC P51449 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL2024855 0.88 TSHR (0.38) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL1842356 0.88 TSHR (0.47) TSHRGABRA1GABRB2ALOX15ALOX12
SCHEMBL2020837 0.87 GABRA1 (0.37) TSHRGABRA1GABRB2ALOX15ALOX12
SCHEMBL2019882 0.85 TYR (0.36) TSHR
SCHEMBL2021751 0.84 MEN1 (0.36) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL2023574 0.84 LIPG (0.41) TSHRALOX15HTT
SCHEMBL2019787 0.83 LIPG (0.43) TSHRALOX15HTT
SCHEMBL2017834 0.83 LIPG (0.43) TSHRALOX15HTT
SCHEMBL2024295 0.83 LIPG (0.43) TSHRALOX15HTT
SCHEMBL2022308 0.83 LIPG (0.43) TSHRALOX15HTT

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.