SCHEMBL105359

SCHEMBL105359

CC(C)(C)CC(C)(C)c1cc(Nc2nc(Nc3cc(C(C)(C)CC(C)(C)C)cc(-n4nc5ccccc5n4)c3O)nc(Nc3cc(C(C)(C)CC(C)(C)C)cc(-n4nc5ccccc5n4)c3O)n2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.36
POLB P06746 3/20 0.36
IDH1 O75874 1/20 0.33
SHBG P04278 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18375844 0.93 NPC1 (0.42) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL29895932 0.93 NPC1 (0.42) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL20349986 0.89 NPC1 (0.39) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL18374917 0.87 NPC1 (0.41) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL4615162 0.85 CNR1 (0.36) NPC1RAB9ALMNAPOLB
SCHEMBL18375770 0.84 PIK3CG (0.36) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL29895632 0.84 PIK3CG (0.36) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL18375140 0.82 NPC1 (0.45) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL7570384 0.82 NPC1 (0.45) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL8204058 0.82 NPC1 (0.48) NPC1RAB9ALMNAPOLBIDH1

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-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
WO-2010130752-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2010-11-18 WO disclosed
WO-2008086928-A1 O/W COSMETIC EMULSION COMPRISING A LIPOPHILIC UV SCREENING AGENT, A POLAR OIL AND A POLYSTYRENE-BLOCK-POLY(ACRYLIC ACID-STAT-C1-C4 ALKYL ACRYLATE) DIBLOCK COPOLYMER L'OREAL (FR) 2008-07-24 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 (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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 NPC1 4231/4885RAB9A 4877/4885LMNA 3686/4885

“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.