SCHEMBL26048868

SCHEMBL26048868

C=Cc1ccc(C)c(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SHBG P04278 1/20 0.37
PDXK O00764 2/20 0.36
HPGD P15428 2/20 0.34
S1PR1 P21453 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PKM P14618 2/20 0.32
MAPT P10636 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5115085 0.84 TDP1 (0.41) TDP1TP53TRPA1ALDH1A1SHBG
SCHEMBL809528 0.84 TP53 (0.41) TDP1TP53TRPA1ALDH1A1PKM
SCHEMBL2313482 0.82 TDP1 (0.42) TDP1TP53TRPA1ALDH1A1HPGD
SCHEMBL11928831 0.81 ALDH1A1 (0.43) TDP1TP53TRPA1ALDH1A1PDXK
SCHEMBL25572772 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1PKM
SCHEMBL4367756 0.80 KDM4E (0.42) TDP1ALDH1A1SHBGHPGDMAPT
SCHEMBL810292 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1PKM
SCHEMBL18195248 0.78 CNR2 (0.46) TP53ALDH1A1SHBGHPGDMAPT
SCHEMBL24071971 0.78 TP53 (0.39) TDP1TP53TRPA1ALDH1A1PKM
SCHEMBL24741213 0.78 TRPA1 (0.31) TRPA1

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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 TDP1 1582/4885TP53 270/4885TRPA1 2797/4885

“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.