SCHEMBL12577484

SCHEMBL12577484

Cc1ccc(-c2ccc(C3CC3C(=O)Oc3cc4c5cc(OC(=O)C6CC6c6ccc(-c7ccc(C)cc7)cc6)c(OC(=O)C6CC6c6ccc(-c7ccc(C)cc7)cc6)cc5c5cc(OC(=O)C6CC6c6ccc(-c7ccc(C)cc7)cc6)c(OC(=O)C6CC6c6ccc(-c7ccc(C)cc7)cc6)cc5c4cc3OC(=O)C3CC3c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.40
▸ LTB4R Q15722 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ GPR88 Q9GZN0 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL14079555 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12577488 0.96 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14079556 0.85 GPR88 (0.41) ALDH1A1FFAR1FFAR4LTB4RGPR88
SCHEMBL12577482 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12577451 0.82 MAPT (0.49) ALDH1A1LMNAMAPTSLC6A2SLC6A4
SCHEMBL12577457 0.81 SLC9A1 (0.49) ALDH1A1FFAR1LMNATP53MAPT
SCHEMBL12646401 0.81 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12577491 0.81 SLC6A3 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12577454 0.76 RAB9A (0.50) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL12577471 0.76 THRB (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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
US-7968155-B2 Optically anisotropic material, liquid crystal display device and triphenylene compound FUJIFILM CORPORATION (JP) 2011-06-28 — — US disclosed
US-7872716-B2 Optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2011-01-18 — — US disclosed
US-7851031-B2 Optically-anisotropic film and liquid-crystal display device FUJIFILM CORPORATION (JP) 2010-12-14 — — US disclosed
US-7763181-B2 Optical compensation film, method of producing the same, and polarizing plate and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2010-07-27 — — US disclosed
US-7431971-B2 Retardation plate FUJIFILM CORPORATION (JP) 2008-10-07 — — US disclosed
US-20080192191-A1 Optical Compensation Film, Polarizing Plate and Liquid Crystal Display FUJIFILM CORPORATION (JP) 2008-08-14 — — US disclosed
US-20080113112-A1 Optical Compensation Film, Method of Producing the Same, and Polarizing Plate and Liquid Crystal Display Device Using the Same FUJIFILM CORPORATION (JP) 2008-05-15 — — US disclosed
US-20080075892-A1 Optically-Anisotropic Film and Liquid-Crystal Display Device FUJIFILM CORPORATION (JP) 2008-03-27 — — US disclosed
US-20070281111-A1 Optically Anisotropic Material, Liquid Crystal Display Device and Triphenylene Compound FUJIFILM CORPORATION (JP) 2007-12-06 — — 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-20070281111-A1 Optically Anisotropic Material, Liquid Crystal Display Device and Triphenylene Compound DVL1, DVL3, FZD7 ALDH1A1 1879/4885CYP1A2 3682/4885CYP3A4 3220/4885
US-20080075892-A1 Optically-Anisotropic Film and Liquid-Crystal Display Device L1CAM, CRY1, TLN1 ALDH1A1 239/4885CYP1A2 2918/4885CYP3A4 3621/4885

“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.

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