SCHEMBL6829533

SCHEMBL6829533

Cc1[c]ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
AKT2 P31751 3/20 0.34
BRD4 O60885 2/20 0.34
CHEK1 O14757 1/20 0.34
AKT1 P31749 1/20 0.34
BRD2 P25440 1/20 0.34
ESR2 Q92731 1/20 0.34
BACE1 P56817 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 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
SCHEMBL7456908 0.87 MAOA (0.34) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL8210178 0.82 HDAC4 (0.44) CYP2A6CYP2B6MAOBAKT2AKT1
SCHEMBL11269403 0.81 PDCD1 (0.42) CYP2A6CYP2B6LMNAAKT2AKT1
SCHEMBL439377 0.81 BRD4 (0.37) CYP2A6CYP2B6LMNAMAPTHTT
SCHEMBL11019765 0.80 SENP1 (0.45) ESR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7461959 0.78 CYP2A6 (0.35) CYP2A6CYP2B6AKT2AKT1ESR2
SCHEMBL7469723 0.78 CYP2A6 (0.40) CYP2A6CYP2B6LMNAMAPTAKT2
SCHEMBL17180554 0.78 TAAR1 (0.38) LMNAMAPTHTTAKT2BRD4
SCHEMBL8131053 0.78 PTGS1 (0.37) CYP2A6LMNAMAPTHTTAKT2
SCHEMBL16344216 0.77 RAB9A (0.37) MAOBMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066138-A1 FLAME RETARDANT THERMOPLASTIC POLYMER COMPOSITIONS DOW CORNING CORPORATION (US) 2015-05-07 WO disclosed
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
US-20040166133-A1 Method of making a mascara composition comprising polyamide polymer and at least one solid substance having a melting point of 45oC or greater L'OREAL 2004-08-26 US disclosed
US-20030147837-A1 Cosmetic composition comprising hetero polymers and a solid substance and method of using same CAVAZZUTI ROBERTO (FR) 2003-08-07 US disclosed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 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-20040166133-A1 Method of making a mascara composition comprising polyamide polymer and at least one solid substance having a melting point of 45oC or greater MATR3, CUTA, PARG CYP2A6 2772/4885CYP2B6 3258/4885MAOB 2624/4885
US-20030147837-A1 Cosmetic composition comprising hetero polymers and a solid substance and method of using same CUTA, FABP4, PLIN3 CYP2A6 764/4885CYP2B6 463/4885MAOB 335/4885

“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.