SCHEMBL915012

SCHEMBL915012

CCCCCc1cc2ccccc2c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SCN3A Q9NY46 1/20 0.50
KCNH2 Q12809 1/20 0.49
MAPT P10636 2/20 0.47
TLR8 Q9NR97 5/20 0.42
NOS2 P35228 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
IDO1 P14902 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL27878565 0.98 KCNH2 (0.51) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL5499379 0.82 KCNH2 (0.51) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL27850373 0.82 TLR8 (0.51) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL11125116 0.82 KCNH2 (0.51) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL10272999 0.80 CYP2A6 (0.44) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL29161769 0.78 ABCB11 (0.46) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL7105438 0.77 KCNH2 (0.46) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL299862 0.77 MAPT (0.53) MAPTTLR8KDM4E
SCHEMBL17997024 0.77 NOS2 (0.47) ABCB11LMNACYP1A2CYP2D6SCN1A
SCHEMBL3347670 0.76 L3MBTL1 (0.61) ABCB11LMNACYP1A2CYP2D6SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
WO-2011006000-A1 BERBERINE DERIVATIVES USEFUL FOR MODULATING LIPID LEVELS AND THEIR METHODS OF SYNTHESIS LIU HAIYAN (US) 2011-01-13 WO 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 ABCB11 1137/4885LMNA 387/4885CYP1A2 2497/4885

“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.