SCHEMBL5846690

SCHEMBL5846690

OCCc1ccc(O)cc1-n1nc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2C P28335 1/20 0.36
TYR P14679 1/20 0.35
MAPT P10636 2/20 0.35
HSP90AB1 P08238 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28253556 0.88 LMNA (0.43) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL11296811 0.82 KDM4E (0.41) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL76276 0.77 KDM4E (0.53) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL30337840 0.76 NPC1 (0.69) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL7857203 0.76 NPC1 (0.69) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL28214707 0.74 PDE6D (0.39) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL29871080 0.73 NPC1 (0.55) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL15707564 0.73 NPC1 (0.56) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL45835 0.73 NPC1 (0.54) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL28037090 0.72 NPC1 (0.39) NPC1RAB9ALMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074853-B2 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION (US) 2006-07-11 US disclosed
US-6861458-B2 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION (US) 2005-03-01 US disclosed
US-20050014951-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2005-01-20 US disclosed
US-6803395-B2 POLYSILOXANE HAVING THEREON A HYDROPHILIC MOIETY AND A LIGHTFASTNESS MOIETY XEROX CORPORATION 2004-10-12 US disclosed
US-20030137570-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2003-07-24 US disclosed
US-20030133886-A1 Photoprotective and lightfastness-enhancing siloxanes XEROX CORPORATION 2003-07-17 US disclosed
US-6569511-B1 Polysiloxane having a hydrophilic moiety and a lightfastness moiety; ink jet coating XEROX CORPORATION 2003-05-27 US disclosed
WO-2003029227-A1 ADHESION PROMOTERS CONTAINING BENZOTRIAZOLES NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-04-10 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-20050014951-A1 Photoprotective and lightfastness-enhancing siloxanes LRRFIP1, LRRC59, MMS19 NPC1 4542/4885RAB9A 940/4885LMNA 396/4885
US-20030133886-A1 Photoprotective and lightfastness-enhancing siloxanes ITGA1, ITGB1, ITGB8 NPC1 4021/4885RAB9A 1019/4885LMNA 296/4885

“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.