SCHEMBL2799600

SCHEMBL2799600

CC1(C)OB(c2ccc(CCCn3c4ccccc4c4ccccc43)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.56
LIPG Q9Y5X9 7/20 0.56
SIGMAR1 Q99720 1/20 0.44
SMPD1 P17405 2/20 0.43
F11 P03951 2/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PLA2G2A P14555 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2799551 0.95 LIPG (0.51) LPLLIPGSIGMAR1SMPD1F11
SCHEMBL15025955 0.78 LIPG (0.86) LPLLIPGF11F2PRSS1
SCHEMBL28051334 0.78 PSEN1 (0.50) LPLLIPG
SCHEMBL5998340 0.78 CNR2 (0.50) LPLLIPG
SCHEMBL133316 0.76 LIPG (0.87) LPLLIPGF11F2PRSS1
SCHEMBL17461835 0.76 ALDH1A1 (0.50) LPLLIPG
SCHEMBL16030727 0.75 LPL (0.55) LPLLIPG
SCHEMBL14022428 0.75 LIPG (0.71) LPLLIPGF11F2PRSS1
SCHEMBL17278442 0.75 SIGMAR1 (0.62) SIGMAR1SMPD1HDAC6BCHEACHE
SCHEMBL10006068 0.74 LIPG (0.81) LPLLIPGF11F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 LPL 2954/4885LIPG 2423/4885SIGMAR1 2540/4885

“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.