SCHEMBL13155406

SCHEMBL13155406

CC(=O)c1oc2cc(C)ccc2c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAOB P27338 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
SCHEMBL13155396 0.85 HSD17B3 (0.50) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL17182467 0.82 L3MBTL1 (0.48) HPGDALDH1A1MAPTKDM4ECYP2C9
SCHEMBL21950981 0.81 CYP2C9 (0.37) HPGDALDH1A1GAAMAPTKDM4E
SCHEMBL13155383 0.75 MCL1 (0.45) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL13155410 0.74 KDM4E (0.54) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL13501462 0.74 KDM4E (0.46) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL13155388 0.73 KCNH2 (0.45) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL13155390 0.70 PTGS2 (0.47) HPGDALDH1A1GAAMAPTPOLB
SCHEMBL7032769 0.69 KCNH2 (0.61) HPGDALDH1A1GAAMAPTKDM4E
SCHEMBL4655120 0.69 MCL1 (0.71) HPGDALDH1A1GAAMAPTPOLB

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 5 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

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 HPGD 135/4885ALDH1A1 609/4885GAA 1645/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HPGD 135/4885ALDH1A1 609/4885GAA 1645/4885

“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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