SCHEMBL718325

SCHEMBL718325

C[Si](C)(C)C#Cc1c2ccccc2c2ccc3c(C#C[Si](C)(C)C)c4ccccc4c4ccc1c2c34

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL29690232 0.88 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10GABRA1
SCHEMBL1470735 0.88 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10GABRA1
SCHEMBL10022715 0.81 CACNA2D1 (0.39)
SCHEMBL715009 0.81 CACNA2D1 (0.39)
SCHEMBL716885 0.80
SCHEMBL15274207 0.80 L3MBTL1 (0.42) ALDH1A1CYP1A2HPGDHSD17B10KDM4E
SCHEMBL16569894 0.80 TSHR (0.35) ALDH1A1CYP1A2HPGDHSD17B10GABRA1
SCHEMBL15274205 0.78 L3MBTL1 (0.43) ALDH1A1CYP1A2HPGDHSD17B10THRB
SCHEMBL4584701 0.78 KDM4E (0.33) ALDH1A1CYP1A2HPGDHSD17B10KDM4E
SCHEMBL14514096 0.77 ELANE (0.39) ALDH1A1CYP1A2HPGDHSD17B10GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-03-01 US disclosed
US-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-03-01 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-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS TYR, PAH, DDT ALDH1A1 342/4885CYP1A2 671/4885HPGD 1463/4885

“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.