SCHEMBL3109673

SCHEMBL3109673

O=C(c1ccc(O)cc1O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
HSP90AB1 P08238 1/20 0.50
GFER P55789 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SERPINE1 P05121 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL3405113 0.80 ALOX15 (0.47) CES2MEN1KMT2AGAALMNA
SCHEMBL17182529 0.80 NPC1 (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL20756412 0.80 CES1 (0.41) CES2CA12CA1CA2CA7
SCHEMBL17718141 0.79 CES2 (0.59) CES2CA12CA1CA2CA7
SCHEMBL10583611 0.78 CES2 (0.48) CES2CA12CA1CA2CA7
SCHEMBL11466552 0.78 CES2 (0.41) CES2CA12CA1CA2CA7
SCHEMBL21950985 0.76 MCL1 (0.50) ALDH1A1TSHRKMT2AGAALMNA
SCHEMBL14632267 0.76 ALDH1A1 (0.48) CES2CA12CA1CA2CA7
2,4-Dihydroxybenzoic Acid SCHEMBL28334743 0.76 ALDH1A1 (0.95) CES2CA12CA1CA2CA7
SCHEMBL2156558 0.75 CES2 (1.00) CES2CA12CA1CA2CA7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712945-B 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 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-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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
EP-0171645-B1 2H-1-BENZOPYRAN-2-ON DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1988-11-30 EP disclosed
US-4670439-A INHIBITING ALLERGIC REACTIONS BOEHRINGER MANNHEIM GMBH (DE) 1987-06-02 US disclosed
EP-0171645-A1 2H-1-benzopyran-2-on derivatives, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1986-02-19 EP 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 CES2 3592/4885CA12 4759/4885CA1 4884/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI CES2 3363/4885CA12 4758/4885CA1 4883/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 CES2 3592/4885CA12 4759/4885CA1 4884/4885

“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.