SCHEMBL17532437

SCHEMBL17532437

O=C1C2C3C=CC(O3)C2C(=O)N1C1CCCCC1N1C(=O)C2C3C=CC(O3)C2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
ALDH1A1 P00352 16/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
PKM P14618 4/20 0.35
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL828074 0.85 ALDH1A1 (0.65) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL17469331 0.85 ALDH1A1 (0.65) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL21162406 0.83 ATM (0.38) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL17532446 0.75 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL17532432 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL17547947 0.71 ATM (0.41) ATMALDH1A1CYP3A4CYP2C19POLB
SCHEMBL44079 0.70 ATM (0.52) ATMALDH1A1CYP3A4CYP2C19POLB
SCHEMBL14536984 0.70 ATM (0.52) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL22698795 0.70 ATM (0.52) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL13239561 0.70 ATM (0.52) ATMALDH1A1SMN1; SMN2CYP3A4CYP2C19

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
US-20160370522-A1 CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-20160370522-A1 CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-20160039994-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-02-11 US disclosed
US-20160039994-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-02-11 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-20160039994-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE VCL, L1CAM, F12 ATM 4007/4885ALDH1A1 2275/4885SMN1; SMN2 1991/4885

“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.