SCHEMBL9980296

SCHEMBL9980296

CCc1ccc2cc3c(cc2c1)OCc1cc(C(C)(C)C)ccc1-3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 9/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
ROCK2 O75116 6/20 0.33
PARP1 P09874 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 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
SCHEMBL13464719 0.90 MAPT (0.37) MEN1MAPTKMT2AAAK1CYP1A2
SCHEMBL13464901 0.88 CYP1A2 (0.42) MAPTAAK1CYP1A2CYP2A6ROCK2
SCHEMBL2708168 0.88 MEN1 (0.39) MEN1MAPTKMT2AAAK1ROCK2
SCHEMBL9980105 0.85 CYP1A2 (0.37) CYP1A2CYP2A6MAOB
SCHEMBL2756778 0.84 MAPT (0.38) MEN1MAPTKMT2AAAK1ROCK2
SCHEMBL9980285 0.81 NR3C1 (0.33) AAK1CYP1A2CYP2A6MAOAMAOB
SCHEMBL2756598 0.80 CYP1A2 (0.42) MAPTAAK1CYP1A2CYP2A6ROCK2
SCHEMBL2756611 0.80 CYP1A2 (0.34) CYP1A2CYP2A6MAOB
SCHEMBL13070868 0.79 CYP1A2 (0.38) MEN1MAPTKMT2ACYP1A2CYP2A6
SCHEMBL2707240 0.78 MEN1 (0.39) MEN1MAPTKMT2AAAK1ROCK2

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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885MAPT 2923/4885KMT2A 3803/4885

“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.