SCHEMBL20199962

SCHEMBL20199962

CC(C)Cc1cc(CO)cc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
ALOX15 P16050 6/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 3/20 0.41
CASP6 P55212 1/20 0.41
ALOX12 P18054 5/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
MAPT P10636 2/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL11682118 0.90 GABRA1 (0.54) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL5588281 0.88 GABRA1 (0.60) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL29450174 0.88 GABRA1 (0.60) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL9812426 0.79 KDM4E (0.61) ALOX15HSD17B10CYP2C9KDM4ECASP6
SCHEMBL31518933 0.79 TNKS (0.51) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL12443050 0.79 HSPA5 (0.51) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL1538588 0.77 GABRA1 (0.61) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL4057921 0.75 GABRA1 (0.56) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL6346498 0.74 GABRA1 (0.52) GABRA1GABRB2ALOX15HSD17B10CYP2C9
SCHEMBL8342795 0.74 GABRA1 (0.54) GABRA1GABRB2ALOX15HSD17B10CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11019825-B2 Product ALPHA BIOPESTICIDES LIMITED (GB) 2021-06-01 US disclosed
US-20180146683-A1 NEW PRODUCT ALPHA BIOPESTICIDES LIMITED (GB) 2018-05-31 US disclosed
US-20180146683-A1 NEW PRODUCT ALPHA BIOPESTICIDES LIMITED (GB) 2018-05-31 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 (2 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-20180146683-A1 NEW PRODUCT CYP51A1, ERG28, FASN GABRA1 2900/4885GABRB2 3210/4885ALOX15 27/4885
US-11019825-B2 Product ERG28, FASN, CYP51A1 GABRA1 2918/4885GABRB2 3499/4885ALOX15 23/4885

“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.