SCHEMBL3528986

SCHEMBL3528986

CCCCCCOc1cc(B2OCCO2)c(OCCCCCC)cc1B1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHUK O15111 1/20 0.35

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
SCHEMBL14510509 0.94 RAB9A (0.36) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL13475210 0.87 RAB9A (0.37) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL14666149 0.85 CNR2 (0.35) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL4262878 0.84 CYP19A1 (0.34) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL14666144 0.84 CNR2 (0.33) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL13429489 0.79 SMN1; SMN2 (0.39) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL2949499 0.79 LPL (0.45) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL2956576 0.79 LPL (0.45) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL4530065 0.79 LPL (0.45) RAB9AMEN1KMT2ATSHRHPGD
SCHEMBL7789302 0.75 S1PR5 (0.38) RAB9AMEN1KMT2ATSHRHPGD

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-8124443-B2 Organic diodes and materials MARROCCO MATTHEW L (US) 2012-02-28 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-20100112751-A1 ORGANIC DIODES AND MATERIALS MARROCCO III MATTHEW L 2010-05-06 US disclosed
US-20070003783-A1 Quinoline copolymer and organic electroluminescent device employing same HITACHI CHEMICAL CO LTD (JP) 2007-01-04 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 RAB9A 4697/4885MEN1 4288/4885KMT2A 3367/4885

“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.