SCHEMBL580001

SCHEMBL580001

CCOC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.72
KMT2A Q03164 1/20 0.72
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.51
ESRRG P62508 4/20 0.50
ESRRB O95718 3/20 0.50
TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL5705148 0.88 KMT2A (0.74) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL159762 0.85 GLA (0.70) GLAKMT2AKDM4EF13A1HDAC3
SCHEMBL793743 0.85 KMT2A (0.70) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL15468096 0.85 GLA (0.70) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL29339723 0.85 KMT2A (0.70) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL159731 0.85 GLA (0.70) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL158220 0.85 HDAC3 (0.78) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL4769744 0.84 KMT2A (0.57) GLAKMT2AKDM4EF13A1HDAC3
SCHEMBL3700733 0.84 KDM4E (0.68) GLAKMT2AKDM4EF13A1ABCG2
SCHEMBL793998 0.84 GLA (1.00) GLAKMT2AKDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US claimed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US claimed
WO-2012162595-A2 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 WO claimed
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US disclosed
WO-2012162595-A2 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 WO disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-0161484-B1 ESSENTIALLY ORTHO-LINKED POLY(ARYL ETHERS) BAYER AG (DE) 1988-09-21 EP disclosed
US-4705843-A Process for the production of substituted polyaryl ethers BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0161484-A1 Essentially ortho-linked poly(aryl ethers) BAYER AG (DE) 1985-11-21 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 (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-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PRDX6, PRDX2, PRDX1 GLA 2694/4885KMT2A 1704/4885KDM4E 777/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 GLA 3319/4885KMT2A 2069/4885KDM4E 608/4885

“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.