SCHEMBL6860410

SCHEMBL6860410

CCCCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccc(S(=O)(=O)Cl)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.35
CNR2 P34972 15/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
GPR18 Q14330 3/20 0.33
GPR55 Q9Y2T6 3/20 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
SCHEMBL224924 0.88 CNR1 (0.38) CNR1CNR2NPC1RAB9APOLB
SCHEMBL6861494 0.88 PDK1 (0.38) CNR1CNR2POLB
SCHEMBL6860406 0.88 NPC1 (0.38) NPC1RAB9APOLB
SCHEMBL5834873 0.87 CNR2 (0.33) CNR1CNR2POLBGPR18GPR55
SCHEMBL5835163 0.86 ACSS2 (0.38) CNR1CNR2POLBGPR18GPR55
SCHEMBL5668745 0.86 CNR2 (0.33) CNR1CNR2POLBGPR18GPR55
SCHEMBL6861520 0.85 PHGDH (0.35) POLB
SCHEMBL768936 0.85 ACSS2 (0.34) CNR1CNR2POLBGPR18GPR55
SCHEMBL6862363 0.84 SFRP1 (0.39)
SCHEMBL5835358 0.84 ACSS2 (0.34) CNR1CNR2GPR18GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 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 (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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 CNR1 4101/4885CNR2 3180/4885NPC1 4353/4885

“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.