SCHEMBL13155388

SCHEMBL13155388

CC(=O)c1oc2cc(C)ccc2c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ HSD17B3 P37058 1/20 0.43
▸ POLB P06746 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL13155383 0.75 MCL1 (0.45) POLBMAPTHPGDKDM4ERAB9A
SCHEMBL13501462 0.74 KDM4E (0.46) POLBMAPTHPGDKDM4ERAB9A
SCHEMBL13155410 0.74 KDM4E (0.54) KCNH2POLBMAPTHPGDKDM4E
SCHEMBL13155406 0.73 HPGD (0.41) KCNH2POLBMAPTHPGDKDM4E
SCHEMBL29206959 0.72 HSD17B3 (0.73) HSD17B3MAPTHPGDKDM4EALDH1A1
SCHEMBL13155390 0.70 PTGS2 (0.47) POLBMAPTHPGDKDM4ERAB9A
SCHEMBL7032769 0.69 KCNH2 (0.61) KCNH2MAPTHPGDKDM4ERAB9A
SCHEMBL4655120 0.69 MCL1 (0.71) KCNH2POLBMAPTHPGDKDM4E
SCHEMBL31723091 0.68 POLB (0.52) KCNH2POLBMAPTHPGDKDM4E
SCHEMBL18347517 0.67 IDO1 (0.51) KCNH2HSD17B3MAPTHPGDKDM4E

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 KCNH2 4619/4885HSD17B3 1071/4885POLB 179/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 KCNH2 4619/4885HSD17B3 1071/4885POLB 179/4885

“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.

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