SCHEMBL10057985

SCHEMBL10057985

O=C1c2cc3ccccc3cc2C(=O)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GPR84 Q9NQS5 3/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
PTGES O14684 1/20 0.41
MAOB P27338 1/20 0.41
RECQL P46063 1/20 0.41
CES1 P23141 1/20 0.40
DNMT1 P26358 1/20 0.39
MPI P34949 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
SCHEMBL14613677 0.88 MAPT (0.44) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL1312333 0.84 MAOB (0.49) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL19810034 0.82 ESR1 (0.48) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL5495757 0.80 HTT (0.44) ALOX5MEN1KMT2ALMNAHPGD
Anthracene SCHEMBL8502505 0.77 ESR1 (0.61) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL13480290 0.76 MAOB (0.42) MEN1KMT2ALMNAKDM4EMAPT
Benz(B)Anthracene SCHEMBL11214746 0.74 ESR1 (0.59) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL5066070 0.74 ESR1 (0.64) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL29406362 0.74 ESR1 (0.64) ALOX5MEN1KMT2ALMNAHPGD
SCHEMBL30441010 0.74 ESR1 (0.64) ALOX5MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME KEIO UNIVERSITY (JP) 2012-01-19 US disclosed
US-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME KEIO UNIVERSITY (JP) 2012-01-19 US disclosed
EP-2383273-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME Sumitomo Chemical Company, Limited (JP) 2011-11-02 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-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME CCKBR, CCKAR, NPY2R ALOX5 4659/4885MEN1 2108/4885KMT2A 419/4885

“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.