SCHEMBL3108280

SCHEMBL3108280

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SRD5A2 P31213 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TTR P02766 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MARS1 P56192 1/20 0.41
PLAU P00749 1/20 0.39
MYC P01106 1/20 0.39
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAP4K4 O95819 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL3556744 0.92 MCL1 (0.47) MCL1PPARGPPARASRD5A2MEN1
SCHEMBL3102693 0.91 MCL1 (0.46) MCL1PPARGPPARAMEN1KMT2A
SCHEMBL3560389 0.90 MCL1 (0.52) MCL1MEN1KMT2AALDH1A1NPC1
SCHEMBL3102308 0.88 MCL1 (0.50) MCL1MEN1KMT2ANPC1RAB9A
SCHEMBL3092548 0.86 MCL1 (0.48) MCL1PPARGSRD5A2MEN1KMT2A
SCHEMBL3557513 0.86 MCL1 (0.48) MCL1MEN1KMT2AALDH1A1NPC1
SCHEMBL3099703 0.85 MCL1 (0.47) MCL1MEN1KMT2ACYP2C9
SCHEMBL3554326 0.84 KDM4E (0.47) MCL1PPARGMEN1KMT2AALDH1A1
SCHEMBL3100961 0.84 MCL1 (0.46) MCL1CYP2C9
SCHEMBL3099923 0.84 MCL1 (0.46) MCL1PPARGMEN1KMT2AALDH1A1

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 8 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
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
EP-1654245-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
WO-2005014566-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-17 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 (3 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 57/4885PPARG 276/4885PPARA 237/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI MCL1 55/4885PPARG 294/4885PPARA 344/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885PPARG 276/4885PPARA 237/4885

“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.