SCHEMBL10356302

SCHEMBL10356302

CCCCOc1ccc([Si](C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.55
CYP3A4 P08684 4/20 0.55
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.52
CYP19A1 P11511 8/20 0.51
CYP2C9 P11712 7/20 0.51
CYP2C19 P33261 7/20 0.51
CYP1A2 P05177 6/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10357014 0.87 CYP2D6 (0.55) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
SCHEMBL11744189 0.86 TP53 (0.55) CYP19A1ALDH1A1LMNAMAPTTSHR
SCHEMBL26850 0.83 LTA4H (0.70) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
SCHEMBL5304952 0.83 CYP2D6 (0.52) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
SCHEMBL6277365 0.82 NQO1 (0.67) CYP2D6CYP3A4LTA4HCYP2C9CYP2C19
SCHEMBL18612818 0.81 CYP2D6 (0.44) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
SCHEMBL31173749 0.81 CYP2D6 (0.36) CYP2D6CYP3A4LTA4HCYP19A1CYP2C9
SCHEMBL12458329 0.80 DRD2 (0.50) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
SCHEMBL5490788 0.79 CYP2D6 (0.52) CYP2D6CYP3A4LTA4HNR5A1CYP19A1
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.79 LTA4H (0.64) CYP2D6CYP3A4LTA4HNR5A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
US-8222426-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-7842941-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 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 (3 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-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 CYP2D6 99/4885CYP3A4 26/4885LTA4H 1934/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 CYP2D6 94/4885CYP3A4 24/4885LTA4H 1818/4885
US-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 CYP2D6 99/4885CYP3A4 26/4885LTA4H 1934/4885

“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.