SCHEMBL6568773

SCHEMBL6568773

c1ccc2c(N(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.56
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP2A6 P11509 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 5/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 1/20 0.46
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL516020 1.00 SIGMAR1 (0.56) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29870751 1.00 SIGMAR1 (0.56) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
Boric Acid SCHEMBL29084632 0.91 SIGMAR1 (0.53) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9934401 0.89 SIGMAR1 (0.50) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29627309 0.89 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5423604 0.87 SIGMAR1 (0.50) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6314684 0.87 ALDH1A1 (0.58) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL13321032 0.87 SIGMAR1 (0.46) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL18134972 0.87 CYP2A6 (0.58) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL12636587 0.87 SIGMAR1 (0.49) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1573578-A Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO LTD (KR) 2005-02-02 CN disclosed
EP-1482378-A1 Electrophotographic organophotoreceptors with charge transport compounds Samsung Electronics Co., Ltd. (KR) 2004-12-01 EP disclosed
EP-1482378-A1 Electrophotographic organophotoreceptors with charge transport compounds Samsung Electronics Co., Ltd. (KR) 2004-12-01 EP disclosed
US-6749978-B2 SUITABLE FOR USE IN AN IMAGING PROCESS WITH EITHER DRY OR LIQUID TONER DEVELOPMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-06-15 US disclosed
US-6749978-B2 SUITABLE FOR USE IN AN IMAGING PROCESS WITH EITHER DRY OR LIQUID TONER DEVELOPMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-06-15 US disclosed
US-20030219662-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO. LTD. 2003-11-27 US disclosed
US-20030219662-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO. LTD. 2003-11-27 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-20030219662-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SLC7A5, SLC18A2, SLC1A5 SIGMAR1 326/4885ALDH1A1 1454/4885HSD17B10 3337/4885

“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.