SCHEMBL6487652

SCHEMBL6487652

COc1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MET P08581 7/20 0.39
KDR P35968 4/20 0.39
AURKA O14965 2/20 0.39
TEK Q02763 2/20 0.39
AURKB Q96GD4 1/20 0.39
CYP3A4 P08684 2/20 0.38
IGF1R P08069 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
FGFR2 P21802 1/20 0.36

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
SCHEMBL7686348 0.94 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL7692498 0.90 LPAR1 (0.39) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL7686564 0.89 LPAR1 (0.43) ALDH1A1POLBMETADRB1ADRB3
SCHEMBL7692913 0.88 LPAR1 (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL6488702 0.88 LPAR1 (0.39) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL7692473 0.87 MET (0.38) ALDH1A1MEN1KMT2APOLBMET
SCHEMBL7692623 0.87 TLR4 (0.43) KMT2ACYP3A4MAPK1LMNAADRB1
SCHEMBL7686800 0.87 ADRB1 (0.39) ALDH1A1MEN1KMT2APOLBKDR
SCHEMBL7692596 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL7693432 0.86 MET (0.39) ALDH1A1MEN1KMT2AMETKDR

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 ALDH1A1 275/4885TSHR 1202/4885MEN1 4437/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ALDH1A1 578/4885TSHR 736/4885MEN1 3735/4885

“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.