SCHEMBL20101131

SCHEMBL20101131

Cc1cc2c(cc1C(C)(C)C)c(C)cn2C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.33
SCN9A Q15858 1/20 0.33
HTR1D P28221 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 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
SCHEMBL16708694 0.81 MAP3K5 (0.34) MAP3K5ALDH1A1SMN1; SMN2TP53
SCHEMBL26606393 0.80 SCN9A (0.38) MAP3K5SCN9AHTR1DCYP1A2CYP2C9
SCHEMBL12602665 0.77 MEN1 (0.35) MAP3K5SCN9AHTR1DCYP1A2CYP2C9
SCHEMBL22315767 0.74 SCN9A (0.35) SCN9A
SCHEMBL16728930 0.74 TP53 (0.38) MAP3K5SCN9ATP53
SCHEMBL18538056 0.74 TP53 (0.38) SCN9AHTR1DALDH1A1TP53
SCHEMBL16727214 0.73 TP53 (0.42) MAP3K5ALDH1A1POLBTP53
SCHEMBL16727209 0.71 MAP3K5 (0.32) MAP3K5TP53
SCHEMBL18508820 0.71 TP53 (0.50) MAP3K5ALDH1A1TP53
SCHEMBL26144296 0.71 HTR1D (0.47) MAP3K5SCN9AHTR1DALDH1A1POLB

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-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAP3K5 2202/4885SCN9A 3573/4885HTR1D 4079/4885

“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.