SCHEMBL4516364

SCHEMBL4516364

COC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)N2CCC(C(=O)OC)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.50
LTA4H P09960 2/20 0.44
RECQL P46063 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 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
SCHEMBL13918474 0.97 CYSLTR2 (0.50) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918453 0.97 NPC1 (0.51) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918336 0.97 CYSLTR2 (0.49) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918476 0.94 ALDH1A1 (0.47) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918388 0.93 CYSLTR2 (0.46) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918396 0.92 THRA (0.49) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918356 0.92 THRA (0.49) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918358 0.92 THRA (0.49) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918485 0.91 CYSLTR2 (0.43) CYSLTR2RAB9ANPC1ALDH1A1TSHR
SCHEMBL13918464 0.90 CYSLTR2 (0.54) CYSLTR2RAB9ANPC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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 (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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYSLTR2 1426/4885RAB9A 3779/4885NPC1 478/4885

“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.