SCHEMBL3556744

SCHEMBL3556744

CC(=O)c1cccc(-c2ccc3c(C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.42
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
DHFR P00374 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SRD5A2 P31213 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3108280 0.92 MCL1 (0.53) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3102693 0.91 MCL1 (0.46) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3560389 0.90 MCL1 (0.52) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL13689390 0.89 NPC1 (0.44) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3102308 0.88 MCL1 (0.50) MCL1RAB9AMEN1KMT2ANPC1
SCHEMBL3092548 0.86 MCL1 (0.48) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3557513 0.86 MCL1 (0.48) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3099923 0.84 MCL1 (0.46) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3554326 0.84 KDM4E (0.47) MCL1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3100961 0.84 MCL1 (0.46) MCL1CYP1A2CYP2D6CYP2C9CYP2C19

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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI MCL1 55/4885RAB9A 4278/4885MEN1 1160/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885RAB9A 4187/4885MEN1 1947/4885

“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.