SCHEMBL3094987

SCHEMBL3094987

c1ccc(COCCCCOC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GBA1 P04062 2/20 0.45
UGCG Q16739 2/20 0.45
GBA2 Q9HCG7 2/20 0.45
EPHX2 P34913 2/20 0.45
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
BCHE P06276 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
DPP4 P27487 1/20 0.43
LTA4H P09960 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
TEAD3 Q99594 1/20 0.40

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
SCHEMBL13096847 0.98 L3MBTL1 (0.50) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL12561351 0.93 TSHR (0.47) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL22906734 0.92 TDP1 (0.46) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL23868167 0.91 TSHR (0.52) TSHRTDP1L3MBTL1OPRM1OPRL1
SCHEMBL18472500 0.91 UGCG (0.48) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL20129166 0.90 TDP1 (0.47) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL6018878 0.88 ALDH1A1 (0.50) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL6018885 0.88 ALDH1A1 (0.50) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL22787012 0.87 FOXM1 (0.45) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL6019025 0.85 CARM1 (0.44) TSHRTDP1L3MBTL1GBA1UGCG

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK TSHR 4536/4885TDP1 3099/4885L3MBTL1 2056/4885

“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.