SCHEMBL15042900

SCHEMBL15042900

CC(C)c1cc2c(ccc3c2cc(C(C)C)n3C)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ KDM1A O60341 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ABCC4 O15439 1/20 0.31
▸ C5 P01031 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL15042851 0.77 — —
SCHEMBL15042908 0.77 DHFR (0.42) DHFRSLC2A1
SCHEMBL18363787 0.72 DHFR (0.43) DHFRSLC2A1KDM1A
SCHEMBL15042905 0.66 DHFR (0.49) DHFRSLC2A1KDM1AKMT2A
SCHEMBL15042815 0.66 HSD17B10 (0.38) DHFRSLC2A1MAPTKDM4EALDH1A1
SCHEMBL15042881 0.66 DHFR (0.46) DHFRSLC2A1MAPTKDM4EALDH1A1
SCHEMBL15042886 0.66 DHFR (0.52) DHFRSLC2A1MAPTKDM4EALDH1A1
SCHEMBL24451732 0.65 DHFR (0.44) DHFRSLC2A1MEN1KMT2A
SCHEMBL15042907 0.65 DHFR (0.48) DHFRSLC2A1ALDH1A1HPGDHSD17B10
SCHEMBL27017056 0.65 GPR3 (0.39) MAPTKDM4EALDH1A1HPGDHSD17B10

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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 DHFR 69/4885SLC2A1 4331/4885KDM1A 2392/4885

“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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