SCHEMBL4463247

SCHEMBL4463247

CCOC(=O)c1ccc(-c2ccc(CCNC(=O)OCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.52
ROCK1 Q13464 3/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 1/20 0.48
GLA P06280 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4469807 0.84 MGLL (0.49) ROCK2ROCK1RAB9AMAPTKMT2A
SCHEMBL4461154 0.78 HSD17B2 (0.58) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL205765 0.78 MGLL (0.65) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21458564 0.77 NPSR1 (0.54) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL5699369 0.77 HSD17B2 (0.66) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL6135268 0.75 CA1 (0.58) NPC1RAB9AMAPTGAAALDH1A1
SCHEMBL4817797 0.74 LMNA (0.49) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL4816390 0.74 MAPT (0.46) ROCK2ROCK1NPC1RAB9AMAPT
SCHEMBL8737718 0.74 NPC1 (0.72) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2851561 0.74 LMNA (0.61) MAPTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ROCK2 3982/4885ROCK1 3837/4885NPC1 4691/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ROCK2 2861/4885ROCK1 2645/4885NPC1 4587/4885

“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.