SCHEMBL20150459

SCHEMBL20150459

CC(C)(C)OSc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 4/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 3/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36
MMP9 P14780 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7186712 0.76 TSHR (0.44) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL3686152 0.75 CA2 (0.45) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL11853795 0.73 CA1 (0.46) ALDH1A1TSHRTDP1CA2MAPT
SCHEMBL10305662 0.73 ALDH1A1 (0.43) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL7189135 0.71 ALDH1A1 (0.44) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL6655975 0.69 THRB (0.39) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL16710910 0.68 ALDH1A1 (0.41) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL22168530 0.68 CA2 (0.46) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL337809 0.67
SCHEMBL29368735 0.67

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-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 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-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885TSHR 4829/4885TDP1 1185/4885

“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.