SCHEMBL6714686

SCHEMBL6714686

COC1(OC)C=CC(C(OCCCC(=O)O)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
BLM P54132 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KIF11 P52732 1/20 0.31
TK2 O00142 2/20 0.31
SLC6A1 P30531 3/20 0.31
SLC6A11 P48066 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
TK1 P04183 1/20 0.31
TBXA2R P21731 2/20 0.31
PDE4B Q07343 1/20 0.30
PDK2 Q15119 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
SCHEMBL5663554 0.78 CHRM2 (0.31)
SCHEMBL8870562 0.75 KIF11 (0.53) ESR1BLMCYP2D6HRH4KIF11
SCHEMBL8135345 0.73 CHRM3 (0.35)
Methylene Chloride SCHEMBL27870524 0.71
SCHEMBL6834879 0.71 PDE4B (0.54) KIF11SLC6A1SLC6A11PDE4B
SCHEMBL8869561 0.70 KIF11 (0.52) HRH4KIF11TK2CYP2C9TK1
SCHEMBL28832854 0.70
SCHEMBL8870247 0.69 KIF11 (0.50) KIF11TK2CYP2C9TK1TBXA2R
SCHEMBL1884316 0.69 KIF11 (0.50) KIF11TK2CYP2C9TK1TBXA2R
SCHEMBL1884344 0.69 KIF11 (0.50) KIF11TK2CYP2C9TK1TBXA2R

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-20040249152-A1 Method for the production of cna NANOGEN RECOGNOMICS GMBH (DE) 2004-12-09 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-20040249152-A1 Method for the production of cna RNGTT, COASY, CNOT7 ESR1 4857/4885BLM 1533/4885CYP2D6 4457/4885

“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.