SCHEMBL6540935

SCHEMBL6540935

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc(Oc3ccc(F)cc3)cc2)cc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.48
LPAR5 Q9H1C0 12/20 0.48
MMP2 P08253 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ACHE P22303 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL6541405 0.88 LPAR1 (0.54) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6802456 0.86 LPAR1 (0.47) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6539902 0.85 HDAC1 (0.49) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6539899 0.85 RCE1 (0.42) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6810353 0.84 HDAC1 (0.46) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6677473 0.84 LPAR1 (0.60) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL579680 0.83 LPAR1 (0.54) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6679747 0.81 LPAR1 (0.52) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL9823156 0.81 HDAC1 (0.54) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6800067 0.81 LPAR1 (0.49) LPAR1LPAR5HDAC1HDAC3HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 LPAR1 362/4885LPAR5 719/4885MMP2 4321/4885

“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.