SCHEMBL6139717

SCHEMBL6139717

C[S+]([O-])c1cc(OCC(O)CCNC2CCN(c3ccc(C(=O)N4CCCCC4)cn3)CC2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKAA2 P54646 1/20 0.36
ADRB3 P13945 1/20 0.36
HPGDS O60760 2/20 0.36
CXCR4 P61073 1/20 0.36
SFRP1 Q8N474 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ADRA1A P35348 6/20 0.35
GRM5 P41594 1/20 0.35
FASN P49327 1/20 0.35
USP30 Q70CQ3 2/20 0.34

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
SCHEMBL6139691 0.93 ALDH1A1 (0.44) HSD17B10KDM4EALDH1A1POLBHPGD
SCHEMBL6139617 0.93 ADRB3 (0.41) HSD17B10KDM4EALDH1A1POLBHPGD
SCHEMBL6139466 0.86 ADRB3 (0.40) HSD17B10KDM4EALDH1A1POLBHPGD
SCHEMBL6140070 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDCXCR4USP30
SCHEMBL6141389 0.83 KDM4E (0.42) HSD17B10KDM4EHPGD
SCHEMBL7470047 0.83 ADRB3 (0.45) ADRB3
SCHEMBL6139612 0.82 HSP90AA1 (0.38) KDM4EALDH1A1POLBHPGD
SCHEMBL6139555 0.81 LMNA (0.42) KDM4EALDH1A1ADRB3CXCR4SFRP1
SCHEMBL7458989 0.80 HRH3 (0.43) ADRB3HRH3USP30
SCHEMBL6139574 0.78 ALDH1A1 (0.46) KDM4EALDH1A1ADRB3

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-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 HSD17B10 1016/4885KDM4E 1468/4885ALDH1A1 637/4885

“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.