SCHEMBL2452867

SCHEMBL2452867

[c]1cc2cc3c(ccc4ccccc43)cc2c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP1B1 Q16678 2/20 0.61
HIF1A Q16665 1/20 0.61
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 3/20 0.43
CYP1A2 P05177 3/20 0.43
HPGD P15428 2/20 0.43
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP1A1 P04798 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL1067479 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL70329 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL8733623 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL25131 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL27616289 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL18221904 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL235409 0.80 HPRT1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL234963 0.80 HPRT1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
Dibenz[A,H]Anthracene SCHEMBL156100 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
Dibenz[A,H]Anthracene SCHEMBL29777008 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090033210-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-02-05 US claimed
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP claimed
US-5624762-A Radiation curable compositions containing vinyl ether functional polyorganosiloxanes DOW CORNING CORPORATION (US) 1997-04-29 US claimed
US-5594042-A RELEASE AGENTS FOR PRESSURE SENSITIVE ADHESIVES DOW CORNING CORPORATION (US) 1997-01-14 US claimed
EP-0697387-A2 Improved method for the preparation of iodonium salts DOW CORNING CORPORATION (US) 1996-02-21 EP claimed
US-5426222-A Mixing iodoarene dicarboxylate, solvent, adding acid to form homogeneous reaction mixture, reacting with benzene or substituted benzene, stripping solvent DOW CORNING CORPORATION (US) 1995-06-20 US claimed
US-8026664-B2 Compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-09-27 US disclosed
US-20090033210-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-02-05 US disclosed
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed
US-5624762-A Radiation curable compositions containing vinyl ether functional polyorganosiloxanes DOW CORNING CORPORATION (US) 1997-04-29 US disclosed
US-5594042-A RELEASE AGENTS FOR PRESSURE SENSITIVE ADHESIVES DOW CORNING CORPORATION (US) 1997-01-14 US disclosed
EP-0697449-A2 Radiation curable compositions containing vinyl ether functional polyorganosiloxanes DOW CORNING CORPORATION (US) 1996-02-21 EP disclosed
EP-0697387-A2 Improved method for the preparation of iodonium salts DOW CORNING CORPORATION (US) 1996-02-21 EP disclosed
US-5426222-A Mixing iodoarene dicarboxylate, solvent, adding acid to form homogeneous reaction mixture, reacting with benzene or substituted benzene, stripping solvent DOW CORNING CORPORATION (US) 1995-06-20 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-20090033210-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TRPA1, LEF1, FLI1 ALDH1A1 427/4885HSD17B10 2121/4885CYP1B1 94/4885

“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.