SCHEMBL12093214

SCHEMBL12093214

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3nc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)nc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ HTR1D P28221 1/20 0.35
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ KIF11 P52732 3/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.30
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 1/20 0.30
▸ TEAD3 Q99594 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL12093225 0.92 KCNH2 (0.41) KCNH2HTR1DPGRRORARORC
SCHEMBL17774060 0.89 KCNH2 (0.40) KCNH2HTR1DPGRRORARORC
SCHEMBL17774073 0.88 KCNH2 (0.40) KCNH2HTR1DPGRRORARORC
SCHEMBL12093020 0.87 ABCG2 (0.40) KCNH2PGRRORARORCRORB
SCHEMBL17774098 0.86 NR1H4 (0.38) KCNH2HTR1DPGRRORARORC
SCHEMBL23085175 0.84 PGR (0.36) KCNH2HTR1DPGRRORARORC
SCHEMBL17774127 0.84 KCNH2 (0.40) KCNH2HTR1DPGRRORARORC
SCHEMBL12335271 0.83 TSHR (0.42) KCNH2HTR1DPGRRORARORC
SCHEMBL2604397 0.83 KDM4E (0.47) KCNH2HTR1DPGRRORARORC
SCHEMBL23331192 0.83 KDM4E (0.47) 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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