SCHEMBL2017623

SCHEMBL2017623

CCc1cccc(C(C)C(C)c2ccc(O)c(C(C)C(C)c3cccc(CC)c3CC)c2C(C)C(C)c2cccc(CC)c2CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.38
▸ GABRB2 P47870 5/20 0.38
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL1843993 0.91 GABRA1 (0.40) GABRA1GABRB2TSHRHTTGABRG2
SCHEMBL2018905 0.88 ALOX15 (0.32) ALOX15ALOX12
SCHEMBL2019657 0.86 TSHR (0.41) GABRA1GABRB2TSHRHTTCYP3A4
SCHEMBL1844370 0.85 TSHR (0.38) GABRA1GABRB2TSHRHTTGABRG2
SCHEMBL2022483 0.83 TSHR (0.33) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL2022256 0.81 TSHR (0.50) GABRA1GABRB2TSHRHTTGABRG2
SCHEMBL2019389 0.81 TYR (0.38) TSHRHTTCYP3A4HPGDALOX15
SCHEMBL2025171 0.80 TYR (0.40) TSHRHTTCYP3A4ALOX15
SCHEMBL2021813 0.79 TYR (0.43) TSHRHTTCYP3A4ALOX15
SCHEMBL2019503 0.79 TYR (0.43) TSHRHTTCYP3A4ALOX15

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 GABRA1 1573/4885GABRB2 1720/4885TSHR 2998/4885

“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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