SCHEMBL1492013

SCHEMBL1492013

CC(C)=C[C@H]1[C@H]([C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
PTGS1 P23219 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.38
ATM Q13315 2/20 0.38
ADRA2A P08913 1/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1821248 1.00 TDP1 (0.53) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9247169 0.91 TDP1 (0.63) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL5604454 0.91 TDP1 (0.63) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL11039301 0.91 TDP1 (0.63) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9247166 0.91 TDP1 (0.63) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9363704 0.90 TDP1 (0.52) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9660038 0.90 TDP1 (0.52) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9660043 0.90 TDP1 (0.52) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL8096469 0.90 TDP1 (0.52) TDP1ALDH1A1PTGS1MEN1KMT2A
SCHEMBL9246103 0.90 TDP1 (0.52) TDP1ALDH1A1PTGS1MEN1KMT2A

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-8614244-B2 Spot-on pesticide composition Segeant's Pet Care Products, Inc. (US) 2013-12-24 US disclosed
US-20110071193-A1 SPOT-ON PESTICIDE COMPOSITION SERGEANT'S PET CARE PRODUCTS, INC. (US) 2011-03-24 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-20110071193-A1 SPOT-ON PESTICIDE COMPOSITION FIBP, TYR, CUTA TDP1 3743/4885ALDH1A1 3571/4885PTGS1 2228/4885

“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.