SCHEMBL4249401

SCHEMBL4249401

CCOC(=O)C(O)C(C)Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
PRNP P04156 1/20 0.42
MMP8 P22894 1/20 0.42
METAP2 P50579 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL17785176 0.81 MAPT (0.55) PIN1MEN1NPC1KMT2AMAPT
SCHEMBL8329718 0.80 PIN1 (0.50) PIN1MEN1NPC1KMT2AMAPT
SCHEMBL3035291 0.80 PIN1 (0.50) PIN1MEN1NPC1KMT2AMAPT
SCHEMBL5027835 0.79 LMNA (0.43) L3MBTL1PRNPALDH1A1KDM4EGAA
SCHEMBL11398073 0.78 MTNR1A (0.48) PIN1MEN1NPC1KMT2AL3MBTL1
SCHEMBL13708391 0.78 LMNA (0.42) MAPTL3MBTL1PRNPALDH1A1KDM4E
SCHEMBL10817048 0.77 MEN1 (0.50) PIN1MEN1NPC1KMT2AMAPT
SCHEMBL9008098 0.77 PIN1 (0.47) PIN1MEN1NPC1KMT2ATDP1
SCHEMBL28557034 0.77 PIN1 (0.47) PIN1MEN1NPC1KMT2AMAPT
SCHEMBL6049933 0.75 MMP8 (0.53) PIN1MEN1NPC1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582791-B2 Process for producing optically active ester KOWA CO., LTD. (JP) 2009-09-01 US disclosed
US-20090118535-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ESTER KOWA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1918271-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ESTER Kowa Company, Ltd. (JP) 2008-05-07 EP 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-20090118535-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ESTER CYP8B1, HACL2, ACSL3 PIN1 3950/4885MEN1 4507/4885NPC1 4550/4885

“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.