SCHEMBL2018021

SCHEMBL2018021

CCC(C)[Si](O)(CCCOC(C)=O)C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL2017257 0.83 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL12218722 0.73 ALDH1A1 (0.45) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL26455423 0.72 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL26316803 0.72 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL26454800 0.70 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL13006965 0.70 ALDH1A1 (0.56) ALDH1A1TSHRALOX15LMNAHSD17B10
Acetic Acid Butyl Ester SCHEMBL28318570 0.70 ALDH1A1 (0.86) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL9231646 0.69 ALDH1A1 (0.56) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL19821863 0.69 ALDH1A1 (0.56) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL204361 0.69 ALDH1A1 (0.61) ALDH1A1TSHRALOX15LMNAHSD17B10

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
EP-2341108-B1 Surface treatment method for solid material SHINETSU CHEMICAL CO (JP) 2014-07-02 EP disclosed
US-8541631-B2 Surface treatment method for solid material SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-24 US disclosed
EP-2341108-A1 Surface treatment method for solid material Shin-Etsu Chemical Co., Ltd. (JP) 2011-07-06 EP disclosed
US-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-30 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-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL H1-2, H1-0, HRH3 ALDH1A1 4154/4885TSHR 814/4885ALOX15 4396/4885

“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.