SCHEMBL9609727

SCHEMBL9609727

CCO[Si](CCCSCc1ccc2ccccc2c1)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MC4R P32245 2/20 0.36

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
SCHEMBL9609702 0.89 HPRT1 (0.33) CYP1A2CYP2A6LMNASMN1; SMN2CYP2E1
SCHEMBL9609734 0.88 CYP1A2 (0.36) CYP1A2CYP2A6LMNASMN1; SMN2CYP2E1
SCHEMBL9609693 0.86 TLR8 (0.39) CYP1A2LMNASMN1; SMN2CYP2E1CYP3A4
SCHEMBL9609742 0.85 KDM4E (0.35) TDP1
SCHEMBL6073782 0.83 CYP2C19 (0.44) CYP1A2LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL13029170 0.80 LMNA (0.33) CYP1A2LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL14506867 0.79 CYP1A2 (0.53) CYP1A2CYP2A6LMNASMN1; SMN2TDP1
SCHEMBL9609715 0.79 MAPT (0.47) LMNASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9609725 0.78 MC5R (0.57) CYP1A2CYP2A6MC4RMC5RIDO1
SCHEMBL8140787 0.78 CYP1A2 (0.52) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 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-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L CYP1A2 874/4885CYP2A6 1886/4885LMNA 549/4885

“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.