SCHEMBL7071902

SCHEMBL7071902

COC(=O)C(Cc1ccc(OCc2cnc3ccc(OC)cc3c2OC(C)C)cc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 4/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
KMT2A Q03164 1/20 0.38
LDHA P00338 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TP53 P04637 1/20 0.37
EDNRA P25101 1/20 0.37
VCAM1 P19320 1/20 0.37

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
Hydrochloric Acid SCHEMBL7066556 0.99 PPARG (0.42) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7070060 0.95 MAPT (0.40) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7072767 0.94 MAPT (0.41) PPARGPPARDPPARAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7069680 0.93 MAPT (0.40) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7070604 0.93 MAPT (0.44) MAPTSMN1; SMN2THRBKDM4EALDH1A1
SCHEMBL7066025 0.91 MAPT (0.40) MAPTSMN1; SMN2THRBKDM4EALDH1A1
SCHEMBL7069396 0.91 MAPT (0.40) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7069528 0.91 MMP13 (0.41) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7070700 0.90 MAPT (0.39) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL7066480 0.90 LDHA (0.42) MAPTSMN1; SMN2THRBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885

“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.