Sugi Predict

Sugi Predict / Compounds / SCHEMBL3093077

SCHEMBL3093077

SCHEMBL3093077

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.45
▸ ACMSD Q8TDX5 1/20 0.40
▸ THRB P10828 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SHMT1 P34896 1/20 0.34
▸ SHMT2 P34897 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.34

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 0.92 MCL1 (0.46) MCL1ACMSDTHRBKCNH2MAOA
SCHEMBL3109766 0.89 MCL1 (0.46) MCL1THRBKCNH2MAOAACHE
SCHEMBL3099703 0.88 MCL1 (0.47) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13335746 0.88 SMN1; SMN2 (0.40) ACMSDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3560389 0.88 MCL1 (0.52) MCL1THRBKCNH2CYP1A2CYP2D6
SCHEMBL3559103 0.87 MCL1 (0.44) MCL1THRBKCNH2MAOAACHE
SCHEMBL3560339 0.87 MCL1 (0.46) MCL1THRBCYP1A2CYP2D6CYP2C9
SCHEMBL3108282 0.86 MCL1 (0.42) MCL1MAOAACHEMAOBNPC1
SCHEMBL3563528 0.86 MCL1 (0.42) MCL1THRBNPC1RAB9AKMT2A
SCHEMBL3102308 0.86 MCL1 (0.50) MCL1THRBKCNH2NPC1RAB9A

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 57/4885ACMSD 3566/4885THRB 4047/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885ACMSD 3566/4885THRB 4047/4885

“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.