SCHEMBL7563341

SCHEMBL7563341

C[C@H](NO)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 3/20 0.58
PGR P06401 1/20 0.58
GAA P10253 1/20 0.58
PTGS1 P23219 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
NCEH1 Q6PIU2 3/20 0.47
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.43
HTR1B P28222 2/20 0.43
OGG1 O15527 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL7776373 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10714230 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10713841 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27660507 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
Hydrochloric Acid SCHEMBL27504502 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11991237 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10770213 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL8458747 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL4600933 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL246709 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US disclosed
WO-2002070680-A1 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-1226237-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed
WO-2001016300-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO 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-20020183249-A1 Method of identifying inhibitors of CDC25 CDC25C, CDC25A, CDC25B ALDH1A1 4243/4885HSD17B10 2458/4885PGR 3528/4885

“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.