SCHEMBL16773422

SCHEMBL16773422

CC1(C)c2ccccc2-c2ccc(Nc3ccc4cc5ccccc5cc4c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PDK2 Q15119 3/20 0.43
▸ P2RY2 P41231 2/20 0.36
▸ ENTPD1 P49961 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP26A1 O43174 1/20 0.34

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
SCHEMBL29450786 0.95 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL2609914 0.95 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL20407304 0.89 PDK2 (0.48) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL782290 0.89 PDK2 (0.51) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL12950969 0.89 PDK2 (0.51) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL29462256 0.89 PDK2 (0.51) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL14316663 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL23621143 0.87 PDK2 (0.41) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL31695395 0.87 PDK2 (0.41) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL23168904 0.87 PDK2 (0.46) ALDH1A1CYP3A4HSD17B10HPGDPDK2

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 1334/4885CYP3A4 22/4885HSD17B10 1425/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885CYP3A4 22/4885HSD17B10 1425/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR ALDH1A1 1334/4885CYP3A4 22/4885HSD17B10 1425/4885

“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.

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