SCHEMBL1045002

SCHEMBL1045002

CCOC(=O)C(CC)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ PGR P06401 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ CDC25B P30305 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43

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
SCHEMBL29099727 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28364718 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL5419911 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7854578 0.81 TDP1 (0.48) ALDH1A1GAAMAPK1TSHRHPGD
SCHEMBL4069381 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7325136 0.80 KMT2A (0.49) ALDH1A1HPGDCDC25BL3MBTL1KMT2A
SCHEMBL28746858 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL1044706 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAPTGS1TSHR
SCHEMBL18671916 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11470067 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10PGRGAAPTGS1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275395-B1 Copper-catalyzed formation of carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-09 — — EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 — — US disclosed
CN-1854128-B Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY 2012-05-16 — — CN disclosed
EP-2275395-A2 Copper-catalyzed formation of carbon-carbon bonds Massachusetts Institute of Technology (MIT) (US) 2011-01-19 — — EP disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 — — EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 — — US disclosed
CN-1854128-A Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2006-11-01 — — CN disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 — — US disclosed
CN-1266112-C Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation MASSACHUSETTS INST TECHNOLOGY (US) 2006-07-26 — — CN disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 — — US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 — — US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 — — US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 — — EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 — — US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 — — US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 — — 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 (4 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885HSD17B10 352/4885PGR 1390/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 ALDH1A1 30/4885HSD17B10 267/4885PGR 1312/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885HSD17B10 352/4885PGR 1390/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885HSD17B10 352/4885PGR 1390/4885

“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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