SCHEMBL12093225

SCHEMBL12093225

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)nc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ HTR1D P28221 1/20 0.37
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ KIF11 P52732 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32
▸ TEAD2 Q15562 1/20 0.32
▸ TEAD3 Q99594 1/20 0.32
▸ DNMT1 P26358 3/20 0.32
▸ NR3C1 P04150 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
SCHEMBL12093214 0.92 KCNH2 (0.38) KCNH2HTR1DPGRRORARORC
SCHEMBL23085175 0.88 PGR (0.36) KCNH2HTR1DPGRRORARORC
SCHEMBL20100119 0.88 KCNH2 (0.42) KCNH2HTR1DPGRRORARORC
SCHEMBL12033588 0.86 ABCG2 (0.42) KCNH2PGRRORARORCRORB
SCHEMBL16233999 0.85 ABCG2 (0.43) PGRRORARORCRORBKIF11
SCHEMBL12033743 0.84 ABCG2 (0.41) ALDH1A1PTGES
SCHEMBL24900374 0.83 HTR1D (0.37) KCNH2HTR1DPGRRORARORC
SCHEMBL24604375 0.83 KIF11 (0.44) KCNH2HTR1DPGRRORARORC
SCHEMBL30175730 0.83 HTR1D (0.37) KCNH2HTR1DPGRRORARORC
SCHEMBL22618162 0.83 KCNH2 (0.43) KCNH2HTR1DPGRRORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 — — US disclosed
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 — — US disclosed
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-06 — — US disclosed
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-06 — — US disclosed
WO-2011057706-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-19 — — WO 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 (1 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-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES ERCC1, XPOT, EMD KCNH2 50/4885HTR1D 3813/4885PGR 750/4885

“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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