SCHEMBL7033712

SCHEMBL7033712

COc1cc(C=O)ccc1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
TSHR P16473 1/20 0.61
HPGD P15428 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
TRIM24 O15164 1/20 0.61
ALDH5A1 P51649 1/20 0.61
ABAT P80404 1/20 0.61
TRIM33 Q9UPN9 1/20 0.61
AOX1 Q06278 1/20 0.56
FDPS P14324 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TTR P02766 1/20 0.49
CYP2C9 P11712 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A3 P47895 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3909451 0.86 CYP2C9 (0.62) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL359439 0.84 ALDH1A1 (0.63) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL18310141 0.84 TRPA1 (0.59) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL15652453 0.84 ALDH1A1 (0.65) ALDH1A1TSHRHPGDTDP1TRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL29268876 0.81 ALDH1A1 (0.85) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL25214183 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL3320296 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL31251381 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL19699322 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL9958266 0.79 KDM4E (0.45) ALDH1A1TSHRHPGDTDP1TRIM24

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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-12-18 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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents HRH4, ODC1, OGDH ALDH1A1 29/4885TSHR 2934/4885HPGD 543/4885

“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.