SCHEMBL13660655

SCHEMBL13660655

CC(C)(C)COc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
SLC2A1 P11166 1/20 0.50
S1PR4 O95977 6/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL1309822 0.85 ALDH1A1 (0.45) CYP1A2CYP2C19TSHRSLC2A1MAPT
SCHEMBL2625771 0.83 SSTR4 (0.49) CYP1A2CYP2C19TSHRMAPTHPGD
SCHEMBL2625767 0.83 MAPT (0.51) TDP1CYP1A2CYP2C19S1PR4MAPT
SCHEMBL9099770 0.82 TDP1 (0.53) TDP1TSHRS1PR4MAPTHPGD
SCHEMBL30632022 0.81 TSHR (0.50) TDP1TSHRS1PR4HPGDSMN1; SMN2
SCHEMBL10649823 0.81 CYP2C19 (0.40) TDP1CYP1A2CYP2C19TSHRSLC2A1
SCHEMBL13310617 0.81 S1PR4 (0.44) CYP1A2CYP2C19SLC2A1S1PR4MRGPRX4
SCHEMBL21404257 0.81 TSHR (0.50) TDP1TSHRS1PR4HPGDSMN1; SMN2
SCHEMBL22000046 0.81 TDP1 (0.51) TDP1TSHRS1PR4MAPTMRGPRX4
SCHEMBL18783744 0.79 PKM (0.40) CYP1A2CYP2C19SLC2A1S1PR4MAPT

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-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 TDP1 587/4885CYP1A2 738/4885CYP2C19 786/4885

“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.