SCHEMBL3105076

SCHEMBL3105076

CC(C)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(C#N)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HSD17B3 P37058 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
PGR P06401 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
MAPT P10636 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MCHR1 Q99705 6/20 0.35
MCL1 Q07820 1/20 0.34
P2RX1 P51575 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL3100744 0.87 MCL1 (0.46) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3098574 0.86 XDH (0.42) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3317797 0.85 XDH (0.41) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3100585 0.85 XDH (0.39) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3093073 0.85 XDH (0.46) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3320298 0.83 KDM4E (0.43) XDHSLC22A12HSD17B3MAPTMCHR1
SCHEMBL3559572 0.82 HSD17B1 (0.43) MAPT
SCHEMBL3558995 0.82 ALDH1A1 (0.41) MCL1
SCHEMBL3558074 0.81 HSD17B3 (0.41) HSD17B3
SCHEMBL3559533 0.80 VSIR (0.37) MAPT

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 6 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

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 XDH 329/4885SLC22A12 3241/4885HSD17B3 1071/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI XDH 160/4885SLC22A12 2151/4885HSD17B3 572/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 XDH 329/4885SLC22A12 3241/4885HSD17B3 1071/4885

“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.