SCHEMBL1751992

SCHEMBL1751992

Cc1cccc(C)c1OCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MCL1 Q07820 1/20 0.50
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL15048558 0.89 ALDH1A1 (0.51) L3MBTL1LMNAKMT2AMEN1PTGER1
SCHEMBL18467924 0.88 L3MBTL1 (0.47) L3MBTL1LMNAKMT2AMEN1MCL1
SCHEMBL7379938 0.83 SCN4A (0.46) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3726341 0.81 KMT2A (0.44) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3723813 0.80 PPARG (0.66) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL830740 0.80 KMT2A (0.60) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL9501831 0.80 POLB (0.56) L3MBTL1KMT2AMCL1PTGER1PTGER4
SCHEMBL7695345 0.80 KDM4E (0.55) L3MBTL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3046950 0.79 LMNA (0.69) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL21595893 0.78 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053918-B1 PROPYL PHENOXY ETHERS FOR USE AS DELIVERY AGENTS EMISPHERE TECH INC (US) 2014-07-23 EP disclosed
EP-2053918-B1 PROPYL PHENOXY ETHERS FOR USE AS DELIVERY AGENTS EMISPHERE TECH INC (US) 2014-07-23 EP disclosed
US-7968736-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof University of Pittsburgh—of the Commonwelth Systems of Higher Education (US) 2011-06-28 US disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER 2009-02-05 US disclosed
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-11-30 US disclosed
US-7122686-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-10-17 US disclosed
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-23 US disclosed
WO-2004022552-A1 ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2004-03-18 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-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EPX, HPD, CYP2C8 L3MBTL1 3481/4885LMNA 2327/4885KMT2A 2202/4885
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF RRS1, RPS3A, RPS3 L3MBTL1 689/4885LMNA 3098/4885KMT2A 2627/4885
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof RRS1, RPS6KA3, RPS6KA4 L3MBTL1 766/4885LMNA 1958/4885KMT2A 3918/4885
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof DECR1, RRS1, WEE1 L3MBTL1 146/4885LMNA 597/4885KMT2A 3135/4885

“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.