SCHEMBL16773282

SCHEMBL16773282

C1=Cc2ccccc2N(c2ccc3ccc4ccccc4c3c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HIF1A Q16665 1/20 0.45
CYP1B1 Q16678 1/20 0.45
P2RX4 Q99571 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
CYP2A6 P11509 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HPRT1 P00492 3/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL16773383 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL13428405 0.81 ALDH1A1 (0.34) ALDH1A1HSD17B10HIF1ACYP1B1P2RX4
SCHEMBL12928337 0.81 POLB (0.42) ALDH1A1HSD17B10HIF1AP2RX4TDP1
SCHEMBL20062872 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL13009193 0.80 HSP90AA1 (0.47) ALDH1A1HSD17B10HIF1AP2RX4TDP1
SCHEMBL13615793 0.79 LMNA (0.33) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL13615975 0.79 LMNA (0.33) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL13456449 0.79 HSP90AA1 (0.33) ALDH1A1HSD17B10HIF1ACYP1B1P2RX4
SCHEMBL13009207 0.77 HSP90AA1 (0.40) ALDH1A1HSD17B10CYP1B1P2RX4TSHR
SCHEMBL13009244 0.77 HSP90AA1 (0.40) ALDH1A1HSD17B10CYP1B1P2RX4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10446759-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2019-10-15 US disclosed
EP-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 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 (3 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-10446759-B2 Phenanthrene compounds for organic electronic devices PAH, CYP1A1, AHR ALDH1A1 1334/4885HSD17B10 1425/4885HIF1A 3726/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885HSD17B10 1425/4885HIF1A 3726/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885HSD17B10 1425/4885HIF1A 3726/4885

“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.