SCHEMBL4465837

SCHEMBL4465837

CCOC(=O)c1cccc2c(-c3ccc(C[C@@H](C)N)cc3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CDC25B P30305 5/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CLEC4M Q9H2X3 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL4473897 0.80 CTRB1 (0.42) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL9150759 0.78 TSHR (0.73) TSHRCDC25BALDH1A1HSD17B10MAPT
SCHEMBL9467853 0.77 CYP1A2 (0.54) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8220001 0.76 TSHR (0.57) TSHRCDC25BALDH1A1HSD17B10MAPT
SCHEMBL2232390 0.75 LMNA (0.59) KMT2ACYP1A2CYP3A4LMNAHPGD
SCHEMBL8873262 0.73 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL22531768 0.72 TSHR (0.59) TSHRCDC25BALDH1A1HSD17B10MAPT
SCHEMBL5752552 0.72 CDC25B (0.70) TSHRCDC25BALDH1A1HSD17B10MAPT
SCHEMBL27493209 0.72 ALDH1A1 (0.53) TSHRCDC25BALDH1A1HSD17B10MAPT
SCHEMBL22531831 0.72 TSHR (0.63) TSHRCDC25BALDH1A1HSD17B10CLEC4M

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 6 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
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 TSHR 1187/4885CDC25B 3351/4885ALDH1A1 675/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 TSHR 3005/4885CDC25B 2961/4885ALDH1A1 1320/4885

“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.