SCHEMBL5307169

SCHEMBL5307169

CCCc1cc(CCC)c[n+](C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA2 P00918 1/20 0.40
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
FFAR4 Q5NUL3 1/20 0.34
MGLL Q99685 1/20 0.33
PLK1 P53350 1/20 0.33
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
THRB P10828 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL5305289 0.85 CA2 (0.44) CA2NPC1RAB9ATP53GPR84
SCHEMBL5286448 0.83 PTGS2 (0.48) CA2LPLLIPGTP53GPR84
SCHEMBL5293896 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5292265 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5288228 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5307800 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5293845 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5298721 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5290790 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53
SCHEMBL5299690 0.81 PTGS2 (0.50) CA2LPLLIPGMGLLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10001703-B2 Photopolymer formulation for production of holographic media comprising borates with low TG COVESTRO DEUTSCHLAND AG (DE) 2018-06-19 US disclosed
US-10001703-B2 Photopolymer formulation for production of holographic media comprising borates with low TG COVESTRO DEUTSCHLAND AG (DE) 2018-06-19 US disclosed
EP-3058423-B1 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA WITH LOW TG BORATES COVESTRO DEUTSCHLAND AG (DE) 2018-04-18 EP disclosed
US-20160252808-A1 PHOTOPOLYMER FORMULATION FOR PRODUCTION OF HOLOGRAPHIC MEDIA COMPRISING BORATES WITH LOW TG COVESTRO DEUTCHLAND AG (DE) 2016-09-01 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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-10001703-B2 Photopolymer formulation for production of holographic media comprising borates with low TG PTGIS, TST, MACF1 CNR1 2460/4885CNR2 1832/4885CA2 647/4885
US-20160252808-A1 PHOTOPOLYMER FORMULATION FOR PRODUCTION OF HOLOGRAPHIC MEDIA COMPRISING BORATES WITH LOW TG PTGIS, TST, MACF1 CNR1 2460/4885CNR2 1832/4885CA2 647/4885

“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.