SCHEMBL1523062

SCHEMBL1523062

CCCCCCOc1cc(-c2ccc(O)c(-c3nc4ccccc4o3)c2)c(OCCCCCC)cc1-c1ccc(O)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
PTGS2 P35354 2/20 0.49
TP53 P04637 6/20 0.45
HSD17B10 Q99714 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.43
PTPN11 Q06124 2/20 0.43
NPC1 O15118 3/20 0.42
TOP2A P11388 1/20 0.42
P2RY14 Q15391 1/20 0.42
TLR8 Q9NR97 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL12763676 1.00 KDM6B (0.52) KDM6BKDM6AESR1ESR2PTGS2
SCHEMBL12763677 0.81 PTPN11 (0.43) ESR1ESR2PTGS2TP53HSD17B10
SCHEMBL8373929 0.78 KDM6B (0.77) KDM6BKDM6AESR1ESR2PTGS2
SCHEMBL804301 0.78 KDM6B (0.50) KDM6BKDM6AESR1ESR2PTGS2
SCHEMBL16741949 0.73 TP53 (0.49) TP53HSD17B10NPSR1MAPTALDH1A1
SCHEMBL1296601 0.71 KDM6B (0.78) KDM6BKDM6AESR1ESR2PTGS2
SCHEMBL8964777 0.71 KDM6B (0.61) KDM6BKDM6APTGS2TP53HSD17B10
SCHEMBL29103202 0.70 CHRNB4 (0.61) TP53MAPTP2RY14CHRNB4CHRNA3
SCHEMBL28336793 0.70 CHRNB4 (0.61) TP53MAPTP2RY14CHRNB4CHRNA3
SCHEMBL7713999 0.70 THRA (0.53) MAPTKMT2APTPN11KDM4EMEN1

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-9523683-B2 Functionalized polydiacetylene sensors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-20 US claimed
US-20150268232-A1 Functionalized Polydiacetylene Sensors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-24 US claimed
US-20110059867-A1 FUNCTIONALIZED POLYDIACETYLENE SENSORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-03-10 US claimed
US-9523683-B2 Functionalized polydiacetylene sensors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-20 US disclosed
US-20150268232-A1 Functionalized Polydiacetylene Sensors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-24 US disclosed
US-8633140-B2 Functionalized polydiacetylene sensors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-01-21 US disclosed
US-20110059867-A1 FUNCTIONALIZED POLYDIACETYLENE SENSORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-03-10 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 (1 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-20110059867-A1 FUNCTIONALIZED POLYDIACETYLENE SENSORS STUB1, PA2G4, SUMO2 KDM6B 4548/4885KDM6A 4038/4885ESR1 2242/4885

“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.