SCHEMBL6477918

SCHEMBL6477918

OC[C@H](Cc1ccc(Oc2ccnc3ccc(F)cc23)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
MET P08581 2/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
PDGFRB P09619 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
SCHEMBL7692498 0.94 LPAR1 (0.39) LPAR1LPAR5POLBALDH1A1MAPK1
SCHEMBL7686348 0.91 ALDH1A1 (0.43) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL7693571 0.87 LPAR1 (0.39) LPAR1LPAR5POLBALDH1A1MAPK1
SCHEMBL6487652 0.86 ALDH1A1 (0.43) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL7686564 0.85 LPAR1 (0.43) LPAR1LPAR5POLBALDH1A1MAPT
SCHEMBL7694477 0.84 MET (0.44) LPAR1LPAR5ALDH1A1MAPTMEN1
SCHEMBL6488702 0.83 LPAR1 (0.39) LPAR1LPAR5POLBALDH1A1MAPK1
SCHEMBL7686800 0.83 ADRB1 (0.39) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL7692913 0.82 LPAR1 (0.39) LPAR1LPAR5POLBALDH1A1MAPK1
SCHEMBL7692473 0.82 MET (0.38) LPAR1LPAR5POLBALDH1A1MAPT

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 LPAR1 494/4885LPAR5 1445/4885POLB 2187/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 LPAR1 361/4885LPAR5 1228/4885POLB 2612/4885

“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.