SCHEMBL5113606

SCHEMBL5113606

O=C(O)Cc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B1 P15121 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL5809079 0.88 PTGER1 (0.48) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL6627314 0.84 NPC1 (0.48) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL9749487 0.82 PTGER1 (0.53) MAPTSMN1; SMN2AKR1B1PTGER1PTGER4
SCHEMBL10436587 0.81 GPBAR1 (0.53) AKR1B1FFAR1
SCHEMBL11739000 0.80 TDP1 (0.57) TDP1L3MBTL1KDM4EALDH1A1GLA
SCHEMBL1681386 0.79 WDR5 (0.53) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
Methane SCHEMBL6568809 0.79 TDP1 (0.56) TDP1L3MBTL1KDM4EALDH1A1GLA
SCHEMBL9749163 0.79 PTGER4 (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL9748801 0.78 LTA4H (0.50) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL10916971 0.78 CYP1A2 (0.44) TDP1NPC1MAPTRAB9ASMN1; SMN2

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 TDP1 4792/4885NPC1 2819/4885MAPT 4642/4885

“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.