SCHEMBL12432007

SCHEMBL12432007

Cc1cc(B(O)O)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.32
NR1I2 O75469 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL18094450 0.86 TSHR (0.41) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL1753908 0.83 ERBB2 (0.34) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL3286259 0.79 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL15935509 0.78 KLF10 (0.33) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL31107047 0.78 GABRA1 (0.33) ALDH1A1HPGDHSD17B10TDP1GABRA1
SCHEMBL4141419 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL21125905 0.75 CA2 (0.41) ALDH1A1HPGDHSD17B10TDP1POLB
SCHEMBL6354584 0.74 GABRA1 (0.43) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16011392 0.73
SCHEMBL7525355 0.72 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10TDP1

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-7981525-B2 Naphthalene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-7981525-B2 Naphthalene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 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-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND AHR, CRY1, NR2E3 ALDH1A1 40/4885CYP3A4 172/4885HPGD 1730/4885

“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.