SCHEMBL23801979

SCHEMBL23801979

COc1c(C(C)(C)C)cc(C2CC(=O)OC(=O)C2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL23801987 0.75 RECQL (0.40) MAPTTSHRALDH1A1HPGDNPC1
SCHEMBL20380129 0.75 ALDH1A1 (0.39) MAPTALDH1A1HPGDNPC1MEN1
SCHEMBL6263190 0.75 ALDH1A1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7443658 0.74 PDE4A (0.38) MAPTTSHRNPC1PTGS2MEN1
SCHEMBL14380637 0.70 CTRB1 (0.35) MAPTTSHRALDH1A1HPGDMEN1
SCHEMBL6265155 0.69 ALDH1A1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2474471 0.68 ALDH1A1 (0.55) MAPTALDH1A1HPGDNPC1MEN1
SCHEMBL3035436 0.68 ALDH1A1 (0.45) MAPTTSHRALDH1A1HPGDNPC1
SCHEMBL2471687 0.68 PDE4A (0.59)
SCHEMBL27189777 0.67 ACHE (0.43) MAPT

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-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 MAPT 4388/4885TSHR 2176/4885ALDH1A1 441/4885

“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.