SCHEMBL20314841

SCHEMBL20314841

CC(C)c1c(C(C)O)cccc1C(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRB2 P47870 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
FAAH O00519 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.50
GABRB1 P18505 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTR2B P41595 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL20315178 0.95 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL8918987 0.86 LMNA (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL8612837 0.81 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL51044 0.81 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL10893500 0.81 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL13712993 0.81 KDM4E (0.47) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL66227 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL8495467 0.79 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL9861539 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1464678 0.78 CYP3A4 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-11045484-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-06-29 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (9 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4329/4885GABRG2 2639/4885GABRB3 4390/4885
US-11045484-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4384/4885GABRG2 2715/4885GABRB3 4395/4885
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885

“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.