SCHEMBL13260412

SCHEMBL13260412

[C-]#[N+]C(C)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
PTGS2 P35354 3/20 0.37
CYP19A1 P11511 3/20 0.35
ESR2 Q92731 1/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAS2R38 P59533 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28481713 0.71 ESR1 (0.58) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL5988427 0.71 ESR1 (0.52) ESR1CES2CES1PTGS2CYP19A1
Methyl Alcohol SCHEMBL28843164 0.70 ESR1 (0.50) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL67982 0.69 CES1 (0.53) ESR1CES2CES1PTGS2TSHR
Benzene SCHEMBL28326432 0.69 CES1 (0.53) ESR1CES2CES1PTGS2TSHR
Ammonia Solution, Strong SCHEMBL28014231 0.69 ESR1 (0.50) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL9806361 0.69 ESR1 (0.77) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL124544 0.69 ESR1 (0.41) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL13260438 0.68 CES1 (0.42) CES2CES1TSHRDAONAPRT
SCHEMBL3854316 0.67 ESR1 (0.48) ESR1CES2CES1PTGS2CYP19A1

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-20100184887-A1 HYBRID NANOPARTICLES BASF SE (DE) 2010-07-22 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 (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-20100184887-A1 HYBRID NANOPARTICLES RAB5IF, TTPA, PRNP ESR1 1632/4885CES2 3765/4885CES1 3945/4885

“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.