SCHEMBL19628274

SCHEMBL19628274

COc1cc(C=O)cc(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 4/20 0.46
HPGD P15428 3/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
KMT2A Q03164 2/20 0.45
FDPS P14324 1/20 0.43
LMNA P02545 1/20 0.43
AOX1 Q06278 1/20 0.42
MAPT P10636 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
POLB P06746 2/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL973079 0.86 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL4909672 0.82 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL11684294 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1KMT2AL3MBTL1
SCHEMBL524215 0.81 KMT2A (0.55) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL111326 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL6938502 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL564090 0.79 ERN1 (0.54) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL30842561 0.78 ALDH1A1 (0.47) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL13512685 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL6294276 0.77 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HPGDTRIM24

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-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 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-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 ALDH1A1 198/4885TSHR 4190/4885TDP1 2963/4885

“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.