SCHEMBL3533988

SCHEMBL3533988

CCCCCCOc1cc(B(O)O)c(OCCCCCC)cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.44
NR5A1 Q13285 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G2A P14555 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL3594529 1.00 S1PR3 (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL3339595 0.90 THRA (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL8864204 0.90 THRA (0.44) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL3534197 0.86 MEN1 (0.39) S1PR3NR5A1MEN1NR1I2LMNA
SCHEMBL29957059 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL29955818 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL20681281 0.83 NR5A1 (0.53) NR5A1LMNAMAPTPTPN11
SCHEMBL29957474 0.83 GAA (0.49) S1PR3NR5A1MEN1MAPTKMT2A
SCHEMBL3426196 0.82 THRA (0.40) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL29956366 0.81 S1PR3 (0.44) S1PR3MEN1NR1I2LMNACHRM2

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 22 patents — showing the first 20. 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 disclosed
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-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-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
US-20110059867-A1 FUNCTIONALIZED POLYDIACETYLENE SENSORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-03-10 US disclosed
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-7033680-B2 Electroluminescent element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-04-25 US disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO disclosed
US-6949621-B2 Polymer containing 9-oxo-9-phosphafluorene-2,7-diyl skeleton in backbone and process for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-09-27 US disclosed
US-20050106413-A1 Electroluminescent element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-19 US disclosed
US-6864347-B2 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. (US) 2005-03-08 US disclosed
US-20040019180-A1 Polymer containing 9-oxo-9-phosphafluorene-2,7-diyl skeleton in backbone and process for producing the same EFFECTO, INC. 2004-01-29 US disclosed
EP-1378532-A1 POLYMER CONTAINING 9-OXO-9-PHOSPHAFLUORENE-2,7-DIYL SKELETON IN BACKBONE AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Corporation (JP) 2004-01-07 EP disclosed
US-20030161605-A1 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. 2003-08-28 US disclosed
WO-2003003112-A1 NONLINEAR OPTICAL CHIRAL COMPOUNDS AND DEVICES INCORPORATING SAME KVH INDUSTRIES, INC. (US) 2003-01-09 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 (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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 S1PR3 3697/4885NR5A1 4768/4885MEN1 4288/4885
US-20110059867-A1 FUNCTIONALIZED POLYDIACETYLENE SENSORS STUB1, PA2G4, SUMO2 S1PR3 4773/4885NR5A1 3904/4885MEN1 4390/4885

“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.