SCHEMBL2903775

SCHEMBL2903775

Brc1ccc(-c2ccc3c(ccc4ccc5ccccc5c43)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP1A1 P04798 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 2/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
CYP2A6 P11509 2/20 0.41
HPRT1 P00492 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 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
SCHEMBL29407540 0.91 ALDH1A1 (0.52) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL1527448 0.91 ALDH1A1 (0.52) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL1527474 0.86 BIRC5 (0.47) CYP1A2CYP1B1ALDH1A1ERBB2FYN
SCHEMBL1527484 0.81 CYP2A6 (0.59) CYP1A2CYP1B1CYP1A1ALDH1A1ERBB2
SCHEMBL12745135 0.81 ALDH1A1 (0.42) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL12745132 0.81 ALDH1A1 (0.42) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL1527418 0.81 ALDH1A1 (0.54) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL30466637 0.81 ALDH1A1 (0.54) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL12745168 0.80 HPRT1 (0.44) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1
SCHEMBL12745213 0.80 HPRT1 (0.44) CYP1A2CYP1B1CYP1A1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9614159-B2 Benzophenanthrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20130285029-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-10-31 US disclosed
EP-2218706-B1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO (JP) 2013-08-21 EP disclosed
US-8507106-B2 Benzophenanthrene derivative and organic electroluminescent device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-13 US disclosed
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 US disclosed
EP-2218706-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-18 EP 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-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME NRAS, RSU1, RAP1A CYP1A2 1816/4885CYP1B1 414/4885CYP1A1 341/4885

“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.