SCHEMBL5846684

SCHEMBL5846684

CCc1ccc(O)c(-n2nc3ccccc3n2)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
ATM Q13315 1/20 0.33
KCNMA1 Q12791 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
SCHEMBL27896531 0.77 NPC1 (0.47) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL17212261 0.76 NPC1 (0.43) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL2472876 0.76 NPC1 (0.53) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL15256747 0.76 NPC1 (0.50) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL13121650 0.75 GABRA1 (0.52) NPC1RAB9ALMNAGABRA1GABRB2
SCHEMBL2474061 0.73 RAB9A (0.49) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL135250 0.73 HDAC6 (0.38) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL5330792 0.73 KDM4E (0.54) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL28515215 0.73 NPC1 (0.53) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL12196763 0.72 KDM4E (0.52) 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 7 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

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.