SCHEMBL6473128

SCHEMBL6473128

CC1CCC(C(C)C)C(OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
XBP1 P17861 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 6/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NTSR1 P30989 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
P2RX4 Q99571 1/20 0.52
HPGD P15428 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP19A1 P11511 2/20 0.47
SERPINE1 P05121 2/20 0.46
KCNA5 P22460 1/20 0.46
NFE2L2 Q16236 1/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL6139312 0.84 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL18002532 0.82 P2RX4 (0.45) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL16406720 0.82 P2RX4 (0.45) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL21944815 0.82 P2RX4 (0.45) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL1133138 0.81 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL8991562 0.80 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL11991407 0.80 PSEN1 (0.47) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL14297598 0.80 PSEN1 (0.47) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL802905 0.80 PSEN1 (0.47) CYP1A2CYP2D6CYP2C9XBP1CYP2C19
SCHEMBL18932202 0.80 PSEN1 (0.47) CYP1A2CYP2D6CYP2C9XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864217-B2 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice HOECHST SCHERING AGREVO GMBH (DE) 2005-03-08 US claimed
US-20030191025-A1 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-10-09 US claimed
US-8580992-B1 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2013-11-12 US disclosed
US-8334414-B2 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-12-18 US disclosed
CN-101390852-B Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD 2010-12-08 CN disclosed
US-7754909-B1 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2010-07-13 US disclosed
CN-1747711-B Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD 2010-04-28 CN disclosed
CN-101390852-A Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD (JP) 2009-03-25 CN disclosed
CN-1747711-A Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD (JP) 2006-03-15 CN disclosed
US-6864217-B2 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice HOECHST SCHERING AGREVO GMBH (DE) 2005-03-08 US disclosed
US-20030191025-A1 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-10-09 US disclosed
US-6492301-B1 SYNERGISTIC WITH HERBICIDES WHICH ARE SELECTIVE IN RICE, MAINLY AGAINST GRASSES, DICOTYLEDONS AND CYPERACEAE PLANTS HOECHST SCHERING AGREVO GMBH (DE) 2002-12-10 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 (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-20030191025-A1 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice DDT, CYCS, CBR3 CYP1A2 75/4885CYP2D6 106/4885CYP2C9 52/4885

“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.