SCHEMBL3109766

SCHEMBL3109766

Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CN)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
HSD17B3 P37058 1/20 0.40
AOC3 Q16853 2/20 0.38
F10 P00742 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
USP28 Q96RU2 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL3100961 0.91 MCL1 (0.46) MCL1THRBKCNH2MAOAACHE
SCHEMBL3559103 0.90 MCL1 (0.44) MCL1AOC3THRBKCNH2MAOA
SCHEMBL3093077 0.89 MCL1 (0.45) MCL1THRBKCNH2MAOAACHE
SCHEMBL3099703 0.89 MCL1 (0.47) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13335744 0.89 SMN1; SMN2 (0.41) HSD17B3AOC3TAAR1USP28CYP1A2
SCHEMBL3560389 0.88 MCL1 (0.52) MCL1THRBKCNH2CYP1A2CYP2D6
SCHEMBL3560339 0.87 MCL1 (0.46) MCL1THRBCYP1A2CYP2D6CYP2C9
SCHEMBL3563528 0.87 MCL1 (0.42) MCL1THRB
SCHEMBL3108282 0.87 MCL1 (0.42) MCL1MAOAACHEMAOB
SCHEMBL3102308 0.86 MCL1 (0.50) MCL1THRBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 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 (2 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885HSD17B3 1071/4885AOC3 3801/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885HSD17B3 1071/4885AOC3 3801/4885

“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.