SCHEMBL6495233

SCHEMBL6495233

CCOC(=O)C(C)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
MMP8 P22894 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6495234 1.00 PIN1 (0.47) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10525181 0.84 PIN1 (0.49) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11171940 0.84 PIN1 (0.49) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8985655 0.83 CHRNB2 (0.47) SMN1; SMN2KMT2ANPC1CHRNB2CHRNB4
SCHEMBL9191050 0.82 KMT2A (0.48) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL27129567 0.82 MAPT (0.51) SMN1; SMN2NPC1MAPTALDH1A1TP53
SCHEMBL27033517 0.82 MAPT (0.51) SMN1; SMN2NPC1MAPTALDH1A1TP53
SCHEMBL29958344 0.82 MAPT (0.51) SMN1; SMN2NPC1MAPTALDH1A1TP53
SCHEMBL30856559 0.81 PIN1 (0.46) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1696052 0.80 ROCK2 (0.49) PIN1SMN1; SMN2MEN1KMT2ANPC1

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-6900244-B2 Anilino liver X-receptor modulators PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-20040087632-A1 Controlling metabolism of lipids, cholesterol PHARMACIA CORPORATION 2004-05-06 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-20040087632-A1 Controlling metabolism of lipids, cholesterol NR1H2, NR1H3, SREBF1 PIN1 3549/4885SMN1; SMN2 4658/4885MEN1 3557/4885

“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.