SCHEMBL13562012

SCHEMBL13562012

Cn1c([Si](C)(C)C)cc2ccc3c4cc5ccccc5cc4ccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP1A2 P05177 2/20 0.33
HPGD P15428 1/20 0.33
PRNP P04156 1/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2A6 P11509 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 1/20 0.31
HPRT1 P00492 2/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 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
SCHEMBL12279591 0.87 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL13562002 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13561990 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13561995 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13561997 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13561991 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL12279561 0.77 PIK3CB (0.32)
SCHEMBL13561998 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13562015 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL13563012 0.76 KMT2A (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 ALDH1A1 2172/4885HSD17B10 988/4885HIF1A 2443/4885

“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.