SCHEMBL16319063

SCHEMBL16319063

Cc1c(OCc2ccccc2)cccc1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.63
TDP1 Q9NUW8 4/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 2/20 0.63
PTGER1 P34995 1/20 0.59
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
POLB P06746 1/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
EDNRA P25101 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL25720776 0.88 MAPT (0.63) L3MBTL1TDP1MAPTMAPK1PTGER1
SCHEMBL410077 0.86 PTGER1 (0.76) L3MBTL1TDP1MAPTMAPK1PTGER1
SCHEMBL4415350 0.86 HTT (0.75) L3MBTL1TDP1MAPK1PTGER1HTT
SCHEMBL9574717 0.84 HTT (0.73) L3MBTL1TDP1MAPTMAPK1HTT
SCHEMBL2331143 0.84 MAPT (0.65) L3MBTL1TDP1MAPTMAPK1PTGER1
SCHEMBL21022925 0.84 ALDH1A1 (0.59) L3MBTL1TDP1MAPK1PTGER1HTT
SCHEMBL17971091 0.83 ALDH1A1 (0.63) L3MBTL1TDP1MAPTMAPK1ALDH1A1
SCHEMBL24983831 0.83 TDP1 (0.56) L3MBTL1TDP1MAPTMAPK1PTGER1
SCHEMBL30141088 0.83 TDP1 (0.56) L3MBTL1TDP1MAPTMAPK1PTGER1
SCHEMBL8303386 0.82 HTT (0.58) L3MBTL1TDP1MAPTMAPK1PTGER1

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 L3MBTL1 4757/4885TDP1 4654/4885MAPT 3110/4885

“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.