SCHEMBL9612459

SCHEMBL9612459

OB(O)c1cc2ccccc2c2cc3ccccc3cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 4/20 0.50
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TRPM4 Q8TD43 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
CYP2A6 P11509 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 5/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39
FYN P06241 2/20 0.39
ACHE P22303 2/20 0.39
AHR P35869 2/20 0.39
LCK P06239 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL368234 0.86 TRPM4 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL30944694 0.81 CA1 (0.54) HSD17B10CA1CA2MAPTCYP2A6
SCHEMBL1818726 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL829841 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL6117604 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL25464011 0.77 TRPM4 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL18253940 0.77 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL1753911 0.77 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL31286368 0.77 HPRT1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4
SCHEMBL22155490 0.76 CYP1A2 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1TRPM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162797-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2017-05-03 EP disclosed
US-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2016-07-14 US disclosed
US-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2016-07-14 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 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 (2 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-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME NOTUM, ORC3, PPOX ALDH1A1 277/4885HSD17B10 2243/4885HIF1A 4221/4885
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885HIF1A 3505/4885

“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.