SCHEMBL497931

SCHEMBL497931

COc1ccc(C=O)cc1CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
TSHR P16473 1/20 0.54
FDPS P14324 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
AOX1 Q06278 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7358221 0.94 ALDH1A1 (0.51) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL20456442 0.88 ALDH1A1 (0.54) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL8236716 0.85 ALDH1A1 (0.45) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL2432443 0.80 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL29957052 0.80 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL18519480 0.79 ALDH1A1 (0.37) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL637014 0.77 FDPS (0.67) ALDH1A1TSHRFDPSHPGDPOLB
SCHEMBL498127 0.77 ALDH1A1 (0.62) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL30352601 0.77 ALDH1A1 (0.62) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL24489075 0.77 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT ALDH1A1 818/4885TSHR 3650/4885FDPS 690/4885

“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.