SCHEMBL6539665

SCHEMBL6539665

COc1cccc(Sc2ccc(CCN(Cc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.57
LPAR5 Q9H1C0 4/20 0.57
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TSHR P16473 2/20 0.46
ALOX5 P09917 2/20 0.45
EDNRA P25101 2/20 0.44
EDNRB P24530 1/20 0.44
HTR5A P47898 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6540146 0.90 LPAR1 (0.52) LPAR1LPAR5TSHRALOX5MEN1
SCHEMBL6552605 0.89 LPAR1 (0.62) LPAR1LPAR5TSHRALOX5MEN1
SCHEMBL6540100 0.85 L3MBTL1 (0.59) LPAR1LPAR5MEN1KMT2AL3MBTL1
SCHEMBL6540580 0.84 LPAR1 (0.52) LPAR1LPAR5KDM4E
SCHEMBL6540825 0.83 OPRK1 (0.50) LPAR1LPAR5MEN1KMT2AL3MBTL1
SCHEMBL6799225 0.81 LPAR1 (0.43) LPAR1LPAR5KMT2A
SCHEMBL6540059 0.80 L3MBTL1 (0.49) LPAR1LPAR5MEN1KMT2AL3MBTL1
SCHEMBL6540922 0.79 L3MBTL1 (0.48) LPAR1LPAR5MEN1KMT2AL3MBTL1
SCHEMBL6540559 0.79 LPAR1 (0.56) LPAR1LPAR5MTNR1B
SCHEMBL6541405 0.78 LPAR1 (0.54) LPAR1LPAR5TSHRALOX5MEN1

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 719/4885MTNR1A 245/4885

“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.