SCHEMBL4540846

SCHEMBL4540846

CCC/C=C1\C(=O)C=Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
RET P07949 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL4540847 1.00 LMNA (0.53) LMNACYP1A2CYP2D6ALOX15TSHR
SCHEMBL15760100 0.78 TRPA1 (0.33) LMNACYP1A2CYP2D6ALOX15TSHR
SCHEMBL4543331 0.78 LMNA (0.48) LMNACYP1A2CYP2D6ALOX15TSHR
SCHEMBL4543328 0.78 LMNA (0.48) LMNACYP1A2CYP2D6ALOX15TSHR
SCHEMBL28287466 0.72 TRPA1 (0.50) LMNACYP1A2CYP2D6ALOX15TSHR
SCHEMBL7180359 0.72 MEN1 (0.53) LMNACYP1A2CYP2D6ALOX15TSHR
1,2-Naphthoquinone SCHEMBL27880767 0.71 PTPRC (0.83) LMNAALOX15HTR1ADRD2HTR2A
SCHEMBL4543564 0.70 KDM4E (0.55) LMNAALOX15MEN1KMT2AKDM4E
SCHEMBL4543566 0.70 KDM4E (0.55) LMNAALOX15MEN1KMT2AKDM4E
SCHEMBL11726890 0.70 LMNA (0.71) LMNACYP1A2CYP2D6ALOX15TSHR

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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A LMNA 1954/4885CYP1A2 2000/4885CYP2D6 2548/4885

“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.