SCHEMBL26141015

SCHEMBL26141015

CC(C)c1ccc2c(c1)C(C)(O)COC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
KARS1 Q15046 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL25496618 0.81 HPGD (0.37) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL26141017 0.81 HPGD (0.37) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL26141016 0.80 KARS1 (0.38) PDK2HPGDGFERHSD17B10TRPA1
SCHEMBL23714629 0.78 PDK2 (0.36) PDK2
SCHEMBL19810469 0.77 AKR1B1 (0.37) PDK2
SCHEMBL23704862 0.77 BACE1 (0.35) PDK2LMNAALDH1A1HTTTP53
SCHEMBL16261133 0.75 HPGD (0.38) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL26141014 0.75 HPGD (0.33) PDK2HPGDGFERHSD17B10
SCHEMBL12074862 0.75 KARS1 (0.43) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL25180103 0.74 HTR2A (0.36) LMNA

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-20230145003-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 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-20230145003-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB PDK2 1604/4885HPGD 3705/4885GFER 4482/4885

“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.