SCHEMBL16773262

SCHEMBL16773262

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5ccccc5c4c3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
PDK2 Q15119 1/20 0.31
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
CRHR1 P34998 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A9 P48067 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL26060067 0.98 HPRT1 (0.31) MCL1ACMSDPDK2
SCHEMBL26060539 0.93 SOS1 (0.32) MCL1ACMSDPDK2CYP1A2ALDH1A1
SCHEMBL27048411 0.93 CA12 (0.32) PDK2CA12CA1CA2CA9
SCHEMBL26060129 0.93 CYP1A1 (0.31) CYP1A2CA12CA1CA2CA9
SCHEMBL26060070 0.92 CYP1A1 (0.32) CYP1A2CYP1B1
SCHEMBL26060069 0.92 HPRT1 (0.33) PDK2CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL26060127 0.91 CA12 (0.31) CA12CA1CA2CA9SLC6A9
SCHEMBL26060072 0.91 LPL (0.32)
SCHEMBL26060077 0.91 MCL1 (0.32) MCL1ACMSDPDK2CA12CA1
SCHEMBL27048413 0.91 HPRT1 (0.31) PDK2

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 MCL1 1282/4885ACMSD 1344/4885PDK2 1216/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR MCL1 1282/4885ACMSD 1344/4885PDK2 1216/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR MCL1 1282/4885ACMSD 1344/4885PDK2 1216/4885

“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.