SCHEMBL26049082

SCHEMBL26049082

Cc1ccc(C=O)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
ALDH1A3 P47895 3/20 0.42
CYP2A6 P11509 4/20 0.40
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 2/20 0.35
HPGD P15428 2/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL23343392 0.83 ALDH1A3 (0.37) ALDH1A1ALDH1A3CYP2A6
SCHEMBL16955732 0.81 TP53 (0.39) ALDH1A1TDP1HTR2CDRD2DRD4
SCHEMBL16956563 0.81 HTR2C (0.35) HTR2CDRD2DRD4DRD3
SCHEMBL8250780 0.77 KDM4E (0.55) ALDH1A1CYP2A6KDM4EPTGS2RAB9A
SCHEMBL28056063 0.77 ALDH1A1 (0.39) ALDH1A1ALDH1A3CYP2A6TSHRKDM4E
SCHEMBL2979640 0.77 ALDH1A1 (0.42) ALDH1A1ALDH1A3CYP2A6TSHRKDM4E
SCHEMBL24512766 0.77 ALDH1A1 (0.55) ALDH1A1ALDH1A3CYP2A6TSHRKDM4E
SCHEMBL29955837 0.77 ALDH1A1 (0.42) ALDH1A1ALDH1A3CYP2A6TSHRKDM4E
SCHEMBL8031193 0.77 ALDH1A3 (0.49) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL21459966 0.75 HTR2C (0.36) ALDH1A1ALDH1A3CYP2A6TSHRHTR2C

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 ALDH1A1 2913/4885ALDH1A3 2318/4885CYP2A6 1259/4885

“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.