SCHEMBL435380

SCHEMBL435380

CCCCCCCCOc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.50
RARB P10826 3/20 0.49
CYP2D6 P10635 4/20 0.48
CYP19A1 P11511 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 2/20 0.45
PLA2G4B P0C869 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL2877838 1.00 LTA4H (0.53) LTA4HNR5A1RARBCYP2D6CYP19A1
SCHEMBL27976761 0.95 LTA4H (0.51) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3733960 0.89 CYP1A2 (0.44) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27553738 0.88 HDAC3 (0.42) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19644214 0.82 LSS (0.59) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL3735038 0.82 NQO1 (0.50) LTA4HTP53TSHRKDM4EALDH1A1
SCHEMBL9783835 0.82 NR5A1 (0.50) LTA4HNR5A1RARBCYP2D6CYP19A1
SCHEMBL3688430 0.82 S1PR1 (0.45) RARBTP53TSHRPLA2G4BKDM4E
SCHEMBL1894536 0.81 ALDH1A1 (0.55) LTA4HCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8007736 0.80 CYP19A1 (0.48) LTA4HNR5A1RARBCYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547895-A Photoactive compounds AZ ELECTRONIC MATERIALS USA (US) 2009-09-30 CN claimed
US-20150125792-A1 PHTHALOCYANINE PIGMENT AND PIGMENT DISPERSION, INK AND COLOR FILTER RESIST COMPOSITION CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2015-05-07 US disclosed
WO-2014030768-A1 PHTHALOCYANINE PIGMENT AND PIGMENT DISPERSION, INK AND COLOR FILTER RESIST COMPOSITION CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2014-02-27 WO disclosed
WO-2012010665-A2 COMBINATION OF A LUMINESCENCE SUBSTANCE WITH A HOLOGRAM SONY DADC AUSTRIA AG (AT) 2012-01-26 WO disclosed
WO-2011085280-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER WITH A UREA OR URETHANE FUNCTIONAL GROUP ISP INVESTMENTS INC. (US) 2011-07-14 WO disclosed
US-7601480-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-10-13 US disclosed
US-20080153032-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
EP-1752463-A1 NOVEL FLUORINATED ALKYLFLUOROPHOSPHORIC ACID SALT OF ONIUM AND TRANSITION METAL COMPLEX San-Apro Limited (JP) 2007-02-14 EP disclosed
CN-1727998-A Photosensitive acid generator containing fluorine ether type structure and multiple functional groups and preparation method thereof HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN disclosed
CN-1152903-C Solvent-free, radiation-curable, optical glass fiber coating compsn. and solvent-free method for making solvent-free, radiation-curable, optical glass fiber coating compsn. DSM 2004-06-09 CN disclosed
CN-1205718-A Solvent-free, radiation-curable optical glass fiber coating composition and method for making same DSM NV (NL) 1999-01-20 CN 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-20080153032-A1 Photoactive Compounds SUN2, CRY2, SCO2 LTA4H 1170/4885NR5A1 3953/4885RARB 3345/4885

“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.