SCHEMBL4392335

SCHEMBL4392335

CCCCOc1ccc([N]c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP2C19 P33261 1/20 0.58
LTA4H P09960 4/20 0.55
NR5A1 Q13285 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
GAA P10253 4/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
FURIN P09958 1/20 0.48
PRSS1 P07477 1/20 0.47

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
SCHEMBL4397713 0.94 NR5A1 (0.63) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL4398764 0.87 LTA4H (0.64) LTA4HNR5A1CYP3A4GAARAB9A
SCHEMBL28964340 0.86 CYP2C9 (0.58) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL28964341 0.86 CYP2C9 (0.58) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL26850 0.85 LTA4H (0.70) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL10139693 0.83 CYP1A2 (0.54) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL31644346 0.83 CYP2C9 (0.54) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL4401293 0.81 NQO1 (0.70) CYP1A2LTA4HALDH1A1CA12CA1
SCHEMBL24849963 0.81 CYP2D6 (0.61) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H
SCHEMBL20420621 0.81 NR5A1 (0.63) CYP2C9CYP1A2CYP19A1CYP2C19LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
US-6929870-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-08-16 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP2C9 3268/4885CYP1A2 3682/4885CYP19A1 4587/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CYP2C9 1903/4885CYP1A2 837/4885CYP19A1 687/4885

“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.