SCHEMBL327596

SCHEMBL327596

Bc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

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
HPRT1 P00492 4/20 0.59
CYP2A6 P11509 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 3/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
HPGD P15428 2/20 0.47
CYP1A1 P04798 1/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.43
TRPM4 Q8TD43 1/20 0.43

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
SCHEMBL25812022 0.98 HPRT1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL18828382 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL12809407 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL22705421 0.85 HPRT1 (0.41) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL27259534 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL10285373 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL319839 0.79 CYP2A6 (0.48) ALDH1A1HSD17B10HIF1ACYP2A6TDP1
SCHEMBL25056778 0.77 CYP2A6 (0.42) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL4852455 0.77 ALDH1A1 (0.89) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL11959837 0.77 ALDH1A1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849001-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2018-03-27 CN disclosed
EP-1888539-B1 HYDROXYPHENYLTRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM BASF SE (DE) 2013-09-18 EP disclosed
US-8134035-B2 Preparation of asymmetric anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2012-03-13 US disclosed
US-20110065924-A1 PREPARATION OF ASYMMETRIC ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-17 US disclosed
WO-2010114256-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO 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-20110065924-A1 PREPARATION OF ASYMMETRIC ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME AKR7A2, ACMSD, ALKBH3 ALDH1A1 1554/4885HSD17B10 391/4885CYP1B1 472/4885

“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.