SCHEMBL23802154

SCHEMBL23802154

CC(C)(C)c1cc(C=O)cc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
ALOX5 P09917 3/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
GABRA1 P14867 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABBR2 O75899 1/20 0.33

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
SCHEMBL23801978 0.87 KDM4E (0.38) ALDH1A1HSD17B10TDP1PTGS1PTGS2
SCHEMBL15653378 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL13074327 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL12401856 0.75 SMN1; SMN2 (0.42) ALDH1A1HSD17B10CYP3A4ALOX5POLB
SCHEMBL9979060 0.75 GABBR2 (0.36) ALDH1A1LMNACYP3A4GABRA1GABRB2
SCHEMBL1464606 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL352807 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL15653833 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL4330234 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1LMNAHPGD
SCHEMBL12401759 0.74 ALDH1A1 (0.32) ALDH1A1CYP3A4POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 ALDH1A1 441/4885HSD17B10 4296/4885TDP1 3320/4885

“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.