SCHEMBL13995063

SCHEMBL13995063

Cc1ccc(-c2c3ccc([Si](C)(C)C)cc3c(-c3ccc(C)c4ccccc34)c3ccc([Si](C)(C)C)cc23)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.43
▸ MAPT P10636 4/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ EPAS1 Q99814 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ CES2 O00748 2/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ EED O75530 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ NSD1 Q96L73 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP2A6 P11509 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33

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
SCHEMBL13995068 0.83 — —
SCHEMBL5011685 0.83 NPC1 (0.40) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL13995133 0.83 COMT (0.39) MAPTTDP1POLBALDH1A1KDM4E
SCHEMBL13995076 0.81 ALDH1A1 (0.37) CYP1A2MAPTHIF1AALDH1A1KDM4E
SCHEMBL16805207 0.81 GPR84 (0.36) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL4079264 0.80 DHFR (0.43) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL4084177 0.80 DHFR (0.43) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL2380918 0.80 CYP1A2 (0.68) CYP1A2MAPTHIF1AEPAS1TDP1
SCHEMBL260441 0.80 CYP1A2 (0.68) CYP1A2MAPTHIF1AEPAS1TDP1
SCHEMBL29416731 0.80 CYP1A2 (0.68) CYP1A2MAPTHIF1AEPAS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-20080303003-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 — — 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 (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-20080303003-A1 Novel Materials for Organic Electroluminescent Devices ANXA2, ANXA3, ANXA1 CYP1A2 2362/4885MAPT 1988/4885HIF1A 4736/4885

“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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