SCHEMBL5520058

SCHEMBL5520058

O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1C1CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
ERCC1 P07992 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
FEN1 P39748 1/20 0.57
ERCC4 Q92889 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.54
TYMS P04818 1/20 0.50
KMT2A Q03164 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRD1 O95696 1/20 0.43
TAF1 P21675 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
SCHEMBL20735017 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL20735085 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL4860229 0.83 CYP1B1 (0.66) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL7646060 0.83 KEAP1 (0.57) ALDH1A1KDM4ECYP1A2POLBMAPT
SCHEMBL20735163 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL20735199 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1HPGDKMT2A
SCHEMBL20735248 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDKMT2ACYP1B1
SCHEMBL20735196 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL10261468 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL10260482 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof LUUKAS TIMO 2007-08-16 US disclosed
US-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof LUUKAS TIMO 2007-08-16 US disclosed
US-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof LUUKAS TIMO 2007-08-16 US disclosed
EP-1725545-A1 COMPOSITION COMPRISING AN OPTICALLY-ACTIVE MONOMERIC COMPOUND, METHOD IMPLEMENTING SAID COMPOSITION, MONOMERIC COMPOUND, POLYMER COMPRISING SAME, AND USE THEREOF L'OREAL (FR) 2006-11-29 EP disclosed
WO-2006000658-A1 DISPERSION OF ETHYLENE POLYMER PARTICLES, COMPOSITION CONTAINING SAME AND METHOD FOR TREATMENT L'OREAL (FR) 2006-01-05 WO disclosed
WO-2005097776-A1 COMPOSITION COMPRISING AN OPTICALLY-ACTIVE MONOMERIC COMPOUND, METHOD IMPLEMENTING SAID COMPOSITION, MONOMERIC COMPOUND, POLYMER COMPRISING SAME, AND USE THEREOF L'OREAL (FR) 2005-10-20 WO 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-20070189987-A1 Composition comprising a monomeric compound with an optical effect, process using said composition, monomeric compound, polymer comprising the same and use thereof KRT18, MITF, CUTA ALDH1A1 2078/4885KDM4E 1921/4885CYP1A2 2919/4885

“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.