SCHEMBL4465627

SCHEMBL4465627

COC(=O)c1ccc(-c2ccc(CCN)cc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.51
SLC2A1 P11166 1/20 0.49
CYP4A11 Q02928 3/20 0.49
LOXL2 Q9Y4K0 2/20 0.49
CYP4F2 P78329 2/20 0.48
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA4 P22748 1/20 0.44
EGFR P00533 1/20 0.44
BACE1 P56817 1/20 0.43
DHODH Q02127 1/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL23512356 0.86 SLC2A1 (0.53) RARBSLC2A1CYP4A11LOXL2CYP4F2
SCHEMBL6166997 0.84 SLC2A1 (0.54) SLC2A1ROCK2ROCK1ALDH1A1CA1
SCHEMBL28255681 0.84 SLC2A1 (0.63) SLC2A1ROCK2ROCK1ALDH1A1CA1
SCHEMBL25146346 0.81 SLC2A1 (0.49) RARBSLC2A1CYP4A11LOXL2CYP4F2
Hydrochloric Acid SCHEMBL4464450 0.81 LOXL2 (0.64) CYP4A11LOXL2CYP4F2ALDH1A1CA1
SCHEMBL230590 0.81 LOXL2 (0.72) CYP4A11LOXL2CYP4F2ALDH1A1CA1
SCHEMBL6883774 0.80 HSD17B1 (0.59) SLC2A1ROCK2ROCK1ALDH1A1CA1
SCHEMBL7402540 0.80 SLC2A1 (0.56) RARBSLC2A1ROCK2ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL206386 0.79 LOXL2 (0.70) CYP4A11LOXL2CYP4F2ALDH1A1CA1
SCHEMBL6102320 0.79 SLC2A1 (0.58) SLC2A1LOXL2ALDH1A1CA1CA2

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 RARB 2854/4885SLC2A1 3744/4885CYP4A11 3361/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 RARB 2924/4885SLC2A1 2268/4885CYP4A11 4628/4885

“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.