SCHEMBL1787322

SCHEMBL1787322

C=C(CCC=Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
MAOB P27338 5/20 0.48
MAOA P21397 3/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
FBP1 P09467 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 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
SCHEMBL25775983 0.85 CYP1A2 (0.56) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL8115998 0.83 PAM (0.52) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL699686 0.83 PAM (0.52) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL5965927 0.82 GRIK1 (0.44) CYP1A2GRIK1GRIK2MAOBMAOA
SCHEMBL18126612 0.79 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL1789406 0.79 NFE2L2 (0.55) CYP1A2MAOBALDH1A1FBP1LMNA
SCHEMBL17080951 0.77 CYP1A2 (0.50) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL1790938 0.77 MAPT (0.44) MAOBHPGDALDH1A1NPC1LMNA
SCHEMBL5965920 0.77 ALDH1A1 (0.56) CYP2C9HPGDALDH1A1LMNAMEN1
SCHEMBL17080955 0.75 MAOB (0.46) CYP1A2CYP2C9GRIK1GRIK2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2011-05-26 US disclosed
US-7041416-B2 Photosensitive resin composition, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. (JP) 2006-05-09 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-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT PPOX, CRY2, HCCS CYP1A2 148/4885CYP2C9 39/4885GRIK1 4225/4885

“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.