SCHEMBL7595261

SCHEMBL7595261

CCCOc1c(I)cccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.53
ADRA1D P25100 10/20 0.53
ADRA1A P35348 10/20 0.53
ADRA1B P35368 10/20 0.53
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LIPE Q05469 1/20 0.44
APP P05067 2/20 0.43
GAA P10253 1/20 0.42
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL30350708 0.85 CHRM2 (0.49) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL19510572 0.85 CHRM2 (0.49) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL15922822 0.80 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL6940369 0.77 MAOA (0.44) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL74678 0.76 MAPT (0.59) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL1114869 0.76 CHRM2 (0.46) MAPTL3MBTL1
SCHEMBL7591530 0.75 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8995983 0.75 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL2197109 0.74 MCHR1 (0.47) MAPT
SCHEMBL6215213 0.74 MAPT (0.67) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans RAO ALLA VENKATA RAMA (IN) 2002-09-12 US disclosed
US-6403814-B1 REACTING WITH GRIGNARD REAGENT COMPOUND HAVING CARBON SUBSTITUTED BY ACETYLENE GROUP, ARYL GROUP AND HYDROXYL GROUP, HYDROGENATING ACETYLENE MOIETY OF REACTION PRODUCT, CYCLIZING TO PROVIDE DI-ARYL TETRAHYDROFURAN MILLENNIUM PHARMACEUTICALS, INC. 2002-06-11 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-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans TPMT, TPI1, GTF2I HTR1A 751/4885ADRA1D 4212/4885ADRA1A 3966/4885

“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.