SCHEMBL7690874

SCHEMBL7690874

COc1ccc([C@@]2(C(=O)OC(C)(C)C)N[C@@H](c3ccccc3)[C@H](C(=O)O)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
EDNRA P25101 2/20 0.37
ALDH1A1 P00352 2/20 0.37
STING1 Q86WV6 1/20 0.35
EDNRB P24530 1/20 0.35
BACE1 P56817 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EIF4A1 P60842 2/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
CACNA1D Q01668 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
SCHEMBL4732903 0.82 CA1 (0.42) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL4397640 0.82 SIGMAR1 (0.43) RAB9AKMT2AEDNRAALDH1A1SIGMAR1
Potassium Ion SCHEMBL9283665 0.77 NFKB1 (0.34) RAB9ANPC1KMT2AALDH1A1CYP3A4
SCHEMBL14967746 0.69 EDNRA (0.40) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL28533814 0.69 ALDH1A1 (0.45) MAPTEDNRAALDH1A1EDNRBBACE1
SCHEMBL5727679 0.69 RECQL (0.40) ALDH1A1TSHRCACNA1D
Tert-Butyl Formate SCHEMBL28532950 0.68 ALDH1A1 (0.39) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL16247216 0.68 CHRNA7 (0.42) MAPTKMT2AEDNRAALDH1A1TSHR
SCHEMBL14967648 0.67 BACE1 (0.36) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL8859269 0.67 CYP2D6 (0.37) MAPTMAPK1KMT2AALDH1A1CYP3A4

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-20020038038-A1 Methods for treating pathological conditions of abnormal cell proliferation AVENTIS PHARMA S.A. 2002-03-28 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-20020038038-A1 Methods for treating pathological conditions of abnormal cell proliferation MKI67, MCL1, ACIN1 RAB9A 2665/4885NPC1 1617/4885MAPT 3808/4885

“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.