SCHEMBL16773277

SCHEMBL16773277

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4ccc5ccccc5c4c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 8/20 0.32
ALDH1A1 P00352 7/20 0.32
MAPT P10636 4/20 0.32
SIRT2 Q8IXJ6 3/20 0.32
SIRT1 Q96EB6 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HPGD P15428 3/20 0.32
GLA P06280 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL26060033 0.98 HSP90AA1 (0.32) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL27048452 0.94 PGR (0.32) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL9916905 0.94 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL9916908 0.94 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL9916918 0.94 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL24658066 0.93 ABCG2 (0.32) HSP90AA1HSP90AB1KMT2ACASP3SENP7
SCHEMBL26060032 0.93 HCRTR1 (0.31)
SCHEMBL25875885 0.93 HSP90AA1 (0.33) HSP90AA1HSP90AB1CASP3SENP7SENP6
SCHEMBL17126417 0.93 HSP90AA1 (0.34) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL31504676 0.93 LPL (0.34) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT

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 HSP90AA1 3865/4885HSP90AB1 4220/4885KDM4E 1217/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR HSP90AA1 3865/4885HSP90AB1 4220/4885KDM4E 1217/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR HSP90AA1 3865/4885HSP90AB1 4220/4885KDM4E 1217/4885

“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.