SCHEMBL6478360

SCHEMBL6478360

CCOC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
POLB P06746 1/20 0.36
MET P08581 4/20 0.36
AXL P30530 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.36
RAD52 P43351 1/20 0.35
ABCB1 P08183 2/20 0.34
GALR3 O60755 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL7686564 0.91 LPAR1 (0.43) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7693606 0.90 F2 (0.37) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7692913 0.90 LPAR1 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6488702 0.90 LPAR1 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7687505 0.89 MET (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7686803 0.89 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7692473 0.89 MET (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7686458 0.89 ALDH1A1 (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7693347 0.89 MET (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7693432 0.89 MET (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 MAPT 3245/4885ALDH1A1 275/4885CYP1A2 167/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 MAPT 3453/4885ALDH1A1 578/4885CYP1A2 163/4885

“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.