SCHEMBL4702821

SCHEMBL4702821

O=C(OC(=O)c1cc(S(=O)(=O)O)cc2ccccc12)c1cc(S(=O)(=O)O)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ CASP6 P55212 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NSD2 O96028 3/20 0.40
▸ DUSP3 P51452 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ NT5E P21589 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ PTPRA P18433 1/20 0.39

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
SCHEMBL7192766 0.83 CYP2D6 (0.58) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6389349 0.82 ALDH1A1 (0.49) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL7543178 0.82 CYP2D6 (0.56) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6390634 0.81 CYP2D6 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL600272 0.76 CDC25B (0.58) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL4957630 0.76 KDM4E (0.41) ALDH1A1CYP2C19HSD17B10MEN1KMT2A
SCHEMBL8599488 0.75 ALDH1A1 (0.50) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1145407 0.75 ALDH1A1 (0.50) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29421128 0.75 ALDH1A1 (0.50) CYP2D6ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL4961121 0.75 ALDH1A1 (0.41) ALDH1A1CYP2C19HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551902-B1 ANISOTROPIC FILMS BASED ON 1,8-NAPHTHOYLENE-1 ,2 -BENZIMIDAZOLE SULFONATES AND LYOTROPIC LIQUID CRYSTAL SYSTEMS AND METHODS FOR MAKING NITTO DENKO CORP (JP) 2008-09-10 — — EP disclosed
US-7262305-B2 Anisotropic films based on 1,8-naphthoylene-1′,2′-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making NITTO DENKO CORPORATION (JP) 2007-08-28 — — US disclosed
EP-1551902-A4 ANISOTROPIC FILMS BASED ON 1,8-NAPHTHOYLENE-1 ,2 -BENZIMIDAZOLE SULFONATES AND LYOTROPIC LIQUID CRYSTAL SYSTEMS AND METHODS FOR MAKING NITTO DENKO CORP (JP) 2006-05-17 — — EP disclosed
US-7026019-B2 Anisotropic films based on 1,8-naphthoylene-1′,2′-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making NITTO DENKO CORPORATION (JP) 2006-04-11 — — US disclosed
US-20060062932-A1 Anisotropic films based on 1,8-naphthoylene-1'2'-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making DUTOVA TATYANA Y 2006-03-23 — — US disclosed
EP-1551902-A2 ANISOTROPIC FILMS BASED ON 1,8-NAPHTHOYLENE-1 ,2 -BENZIMIDAZOLE SULFONATES AND LYOTROPIC LIQUID CRYSTAL SYSTEMS AND METHODS FOR MAKING Optiva, Inc. (US) 2005-07-13 — — EP disclosed
US-20040058091-A1 Anisotropic films based on 1,8-naphthoylene-1',2'-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making INSOLVENCY SERVICES GROUP, INC. 2004-03-25 — — US disclosed
WO-2004003599-A2 ANISOTROPIC FILMS BASED ON 1,8-NAPHTHOYLENE-1',2'-BENZIMIDAZOLE SULFONATES AND LYOTROPIC LIQUID CRYSTAL SYSTEMS AND METHODS FOR MAKING OPTIVA, INC. (US) 2004-01-08 — — WO disclosed
US-4791194-A DURABILITY; ELECTROGRAPHY MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1988-12-13 — — US disclosed
EP-0150707-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI KASEI CORPORATION (JP) 1988-04-13 — — EP disclosed
US-4618555-A PHOTOSENSITIVITY; DURABILITY MITSUBISHI CHEMICAL IND., LTD. (JP) 1986-10-21 — — US disclosed
EP-0150707-A1 Electrophotographic photoreceptor MITSUBISHI KASEI CORPORATION (JP) 1985-08-07 — — EP disclosed
US-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 — — 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-20060062932-A1 Anisotropic films based on 1,8-naphthoylene-1'2'-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making LSS, LASP1, LYAR CYP2D6 1649/4885ALDH1A1 2043/4885CASP6 971/4885

“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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