SCHEMBL9927100

SCHEMBL9927100

OB(O)c1ccc(/C=C\c2cc(O)cc(O)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 1.00
PTGS1 P23219 6/20 0.65
KDM4E B2RXH2 4/20 0.65
LMNA P02545 4/20 0.65
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 3/20 0.65
TP53 P04637 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
MAPT P10636 3/20 0.65
CYP2C9 P11712 3/20 0.65
HPGD P15428 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HIF1A Q16665 3/20 0.65
HSD17B10 Q99714 3/20 0.65
PTGS2 P35354 3/20 0.65
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65

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
SCHEMBL9927101 1.00 TTR (1.00) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL18407089 0.87 TTR (0.77) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL15483207 0.85 TTR (0.73) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL9927119 0.84 TTR (0.72) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL2400920 0.84 TTR (0.71) TTRKDM4ECA1CA2CA4
SCHEMBL2400914 0.84 TTR (0.71) TTRKDM4ECA1CA2CA4
SCHEMBL1165543 0.84 TTR (0.72) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL9927118 0.84 TTR (0.72) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL9927110 0.84 TTR (0.72) TTRPTGS1KDM4ELMNAMEN1
SCHEMBL1165540 0.84 TTR (0.72) TTRPTGS1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478445-B2 Boronic acid derivatives of resveratrol for activating deacetylase enzymes GEORGETOWN UNIVERSITY (US) 2019-11-19 US disclosed
US-20160166592-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20160166592-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
WO-2015003146-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES GEORGETOWN UNIVERSITY (US) 2015-01-08 WO disclosed
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2012-06-14 US disclosed
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2012-06-14 US disclosed
WO-2011022502-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2011-02-24 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 (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-10478445-B2 Boronic acid derivatives of resveratrol for activating deacetylase enzymes HDAC1, BRDT, HDAC7 TTR 3429/4885PTGS1 2566/4885KDM4E 1628/4885
US-20160166592-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES HDAC1, BRDT, HDAC7 TTR 3429/4885PTGS1 2566/4885KDM4E 1628/4885
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER RB1, RBBP5, CCNB1 TTR 4498/4885PTGS1 2098/4885KDM4E 2849/4885

“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.