SCHEMBL26083083

SCHEMBL26083083

CC(=O)CCSc1ccccc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS2 P35354 4/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.40
ICMT O60725 1/20 0.40
GMNN O75496 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 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
SCHEMBL26942233 0.84 PTGS2 (0.58) CYP1A2ALDH1A1HSD17B10POLBPKM
SCHEMBL4436794 0.79 HSD17B10 (0.54) CYP1A2ALDH1A1HSD17B10POLBPKM
SCHEMBL11497783 0.79 PTGS2 (0.61) ALDH1A1PTGS2LMNACYP3A4TSHR
SCHEMBL23531271 0.78 PTGS2 (0.40) ALDH1A1POLBPTGS2LMNATSHR
SCHEMBL13784467 0.77 POLB (0.46) CYP1A2ALDH1A1HSD17B10POLBPKM
SCHEMBL14273049 0.76 CYP1A2 (0.73) CYP1A2ALDH1A1HSD17B10POLBKMT2A
SCHEMBL17052733 0.76 PTGS2 (0.50) ALDH1A1HSD17B10POLBPKMALOX15
SCHEMBL11724672 0.75 KMT2A (0.65) CYP1A2ALDH1A1POLBPKMKMT2A
SCHEMBL226117 0.74 POLB (0.64) CYP1A2ALDH1A1POLBALOX15KMT2A
SCHEMBL28451989 0.74 CA12 (0.50) ALDH1A1POLBKMT2ACA12CA1

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-11779565-B2 Small organic molecules for use in the treatment of neuroinflammatory disorders The Medical Research, Infrastructure and Health Services Fund of the Tel Aviv Medical Center (IL) 2023-10-10 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-11779565-B2 Small organic molecules for use in the treatment of neuroinflammatory disorders BMP1, BMP2, BMP4 CYP1A2 4671/4885ALDH1A1 3914/4885HSD17B10 4080/4885

“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.