SCHEMBL15344016

SCHEMBL15344016

CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.57
PTGS2 P35354 3/20 0.56
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
TTR P02766 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 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
SCHEMBL16899803 1.00 HSD17B10 (0.57) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL16899818 0.95 MEN1 (0.58) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL16899816 0.95 MEN1 (0.58) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL15340449 0.93 HSD17B10 (0.53) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL15344013 0.90 KDM4E (0.51) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL16899819 0.90 KDM4E (0.51) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL4257188 0.90 KDM4E (0.69) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL4257179 0.90 KDM4E (0.69) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL16899820 0.89 KDM4E (0.56) HSD17B10PTGS2KDM4EMEN1KMT2A
SCHEMBL15340458 0.88 KDM4E (0.49) HSD17B10PTGS2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950987-B2 Aspirin derivatives and uses thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2018-04-24 US disclosed
US-9950987-B2 Aspirin derivatives and uses thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2018-04-24 US disclosed
US-20180072652-A1 NOVEL ASPIRIN DERIVATIVES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-15 US disclosed
US-20180072652-A1 NOVEL ASPIRIN DERIVATIVES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-15 US disclosed
US-9187402-B2 Aspirin derivatives and uses thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2015-11-17 US disclosed
US-9187402-B2 Aspirin derivatives and uses thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2015-11-17 US disclosed
WO-2015104298-A2 POLYPHENOL CONJUGATES ANALYTICAL SERVICES (DE) 2015-07-16 WO disclosed
WO-2015104298-A2 POLYPHENOL CONJUGATES ANALYTICAL SERVICES (DE) 2015-07-16 WO disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 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-20180072652-A1 NOVEL ASPIRIN DERIVATIVES AND USES THEREOF PTGS1, HPGDS, PTGES3 HSD17B10 1611/4885PTGS2 4/4885KDM4E 3277/4885
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 HSD17B10 73/4885PTGS2 169/4885KDM4E 3003/4885

“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.