SCHEMBL139856

SCHEMBL139856

CCCCCC(C)(C)c1cc(N)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.47
CNR2 P34972 15/20 0.47
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GPR18 Q14330 3/20 0.36
GPR55 Q9Y2T6 3/20 0.36

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
SCHEMBL7588136 0.88 CNR1 (0.44) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL2464792 0.88 CNR2 (0.44) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL2467398 0.87 CNR2 (0.46) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL673359 0.87 CNR1 (0.40) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL9408867 0.86 CNR2 (0.42) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL22289027 0.86 CNR1 (0.42) CNR1CNR2NPC1RAB9AGPR18
SCHEMBL258641 0.86 CNR1 (0.41) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL9190250 0.85 POLB (0.39) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL224924 0.83 CNR1 (0.38) CNR1CNR2NPC1RAB9ALMNA
SCHEMBL13370057 0.83 CNR1 (0.38) CNR1CNR2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62081376-A None JP disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
EP-2430089-B1 HIGH MOLECULAR WEIGHT NON-POLAR BENZOTRIAZOLES BASF SE (DE) 2013-07-31 EP disclosed
EP-2430089-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2012-03-21 EP 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-2006090917-A2 ULTRAVIOLET ABSORBING POLYMER FOR HIGH LIGHT RESISTANT RECORDING MATERIALS NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-31 WO disclosed
US-6361764-B2 ULTRAVIOLET LIGHT SCREENING AGENTS; COSMETICS SOCIETE L'OREAL S.A. (FR) 2002-03-26 US disclosed
US-20020010179-A1 Novel insoluble S-triazine derivatives, process for their preparation, compositions containing them and uses thereof RICHARD HERVE (FR) 2002-01-24 US disclosed
JP-S6281376-A BENZOTRIAZOLE COMPOUND ADEKA ARGUS CHEM CO LTD 1987-04-14 JP 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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 CNR1 2926/4885CNR2 1930/4885NPC1 4231/4885
US-20020010179-A1 Novel insoluble S-triazine derivatives, process for their preparation, compositions containing them and uses thereof TST, TYR, TPST2 CNR1 4633/4885CNR2 4146/4885NPC1 3874/4885

“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.