SCHEMBL10317563

SCHEMBL10317563

CCCCc1ccc([Si](C2=C(Cc3ccccc3)C([Ti])=CC2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
HTR1D P28221 1/20 0.36
MAPT P10636 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNH2 Q12809 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR2A P28223 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR8 Q9NR97 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
Hydrochloric Acid SCHEMBL14352196 0.84 HTR1D (0.38) HSD11B1HTR1DMAPTORAI1ORAI2
Hydrochloric Acid SCHEMBL10318657 0.77 HTR1D (0.38) HSD11B1HTR1DMAPTORAI1ORAI2
SCHEMBL10317502 0.75 HSD11B1 (0.38) HSD11B1HTR1DMAPTORAI1ORAI2
SCHEMBL10320876 0.74 HSD11B1 (0.43) HSD11B1HTR1DMAPTORAI1ORAI2
SCHEMBL10320819 0.74 HSD11B1 (0.43) HSD11B1HTR1DMAPTORAI1ORAI2
SCHEMBL10320576 0.74 HSD11B1 (0.37) HSD11B1HTR1DMAPTORAI1ORAI2
SCHEMBL10317319 0.74 HSD11B1 (0.37) HSD11B1HTR1DMAPTORAI1ORAI2
Hydrochloric Acid SCHEMBL10319119 0.73 NISCH (0.37) HSD11B1HTR1DMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL10317943 0.72 NISCH (0.36) HSD11B1HTR1DMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL10318863 0.72 NISCH (0.36) HSD11B1HTR1DMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 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-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 HSD11B1 377/4885HTR1D 837/4885MAPT 2550/4885

“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.