Sugi Predict

Sugi Predict / Compounds / SCHEMBL12455989

SCHEMBL12455989

SCHEMBL12455989

CC1(C)c2ccccc2-c2cc3c4cc(C(=O)c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c6)c5)C(C)(C)c5ccccc5-7)ccc4n(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)c4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ IP6K3 Q96PC2 1/20 0.32
▸ IP6K2 Q9UHH9 1/20 0.32
▸ USP2 O75604 4/20 0.31
▸ CYP1A2 P05177 4/20 0.31
▸ HSD17B10 Q99714 4/20 0.31
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ ALDH1A1 P00352 5/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17400243 0.92 RARB (0.35) RARBRARG
SCHEMBL2603612 0.91 PDK2 (0.36) PDK2RARARARBRARGCNR2
SCHEMBL803044 0.90 PDK2 (0.38) PDK2CNR2CYP1A2HSD17B10SMN1; SMN2
SCHEMBL12181740 0.89 PGR (0.33) PDK2USP2CYP1A2HSD17B10SMN1; SMN2
SCHEMBL12455986 0.89 PGR (0.33) PDK2USP2CYP1A2HSD17B10SMN1; SMN2
SCHEMBL783103 0.88 CNR2 (0.36) PDK2CNR2USP2HSD17B10ALDH1A1
SCHEMBL782532 0.88 PDK2 (0.37) PDK2CNR2HSD17B10SMN1; SMN2MAPK1
SCHEMBL782757 0.88 PDK2 (0.35) PDK2CNR2USP2HSD17B10ALDH1A1
SCHEMBL23058895 0.87 ATM (0.38) USP2CYP1A2HSD17B10SMN1; SMN2MAPK1
SCHEMBL12292011 0.87 ATM (0.38) USP2CYP1A2HSD17B10SMN1; SMN2MAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323159-B1 COMPOSITION COMPRISING ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-04 — — EP disclosed
US-10714691-B2 Formulations for the production of electronic devices MERCK PATENT GMBH (DE) 2020-07-14 — — US disclosed
US-20190207114-A9 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-07-04 — — US disclosed
EP-2477999-B1 FORMULATIONS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-23 — — EP disclosed
US-20180212166-A1 COMPOSITION COMPRISING ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-07-26 — — US disclosed
US-20180212166-A1 COMPOSITION COMPRISING ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-07-26 — — US disclosed
US-20180114912-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-26 — — US disclosed
US-20180114912-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-26 — — US disclosed
US-9882135-B2 Formulations and electronic devices MERCK PATENT GMBH (DE) 2018-01-30 — — US disclosed
US-9882135-B2 Formulations and electronic devices MERCK PATENT GMBH (DE) 2018-01-30 — — US disclosed
EP-2517277-B1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2015-07-08 — — EP disclosed
US-8974702-B2 Composition for the preparation of organic electronic (OE) devices MERCK PATENT GMBH (DE) 2015-03-10 — — US disclosed
US-8974702-B2 Composition for the preparation of organic electronic (OE) devices MERCK PATENT GMBH (DE) 2015-03-10 — — US disclosed
WO-2015018480-A1 FORMULATION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES COMPRISING A POLYMERIC BINDER MERCK PATENT GMBH (DE) 2015-02-12 — — WO disclosed
US-20140048745-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-02-20 — — US disclosed
US-20140048745-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-02-20 — — US disclosed
US-20130062581-A1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2013-03-14 — — US disclosed
US-20130062581-A1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2013-03-14 — — US disclosed
US-20120238105-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-20 — — US disclosed
US-20120238105-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-20 — — 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 (4 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-20120238105-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES NR3C2, KCNE1, KCNJ2 PDK2 3182/4885RARA 3710/4885RARB 3326/4885
US-20180114912-A1 FORMULATIONS AND ELECTRONIC DEVICES SLC19A1, IK, KCNQ2 PDK2 1498/4885RARA 1697/4885RARB 1501/4885
US-20190207114-A9 FORMULATIONS AND ELECTRONIC DEVICES SLC19A1, IK, KCNQ2 PDK2 1498/4885RARA 1697/4885RARB 1501/4885
US-10714691-B2 Formulations for the production of electronic devices NR3C2, KCNE1, NR2E1 PDK2 3261/4885RARA 3666/4885RARB 3154/4885

“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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