SCHEMBL7069302

SCHEMBL7069302

CC(C)Oc1c(CO)cnc2c(C(F)(F)F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.45
NR1H3 Q13133 18/20 0.45
PARP1 P09874 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7067847 0.84 ADORA2A (0.36) PARP1TP53
SCHEMBL7070776 0.81 NR1H2 (0.41) NR1H2NR1H3PARP1HSD17B10
SCHEMBL7069485 0.78 TP53 (0.59) NR1H2NR1H3USP2TP53MAPK1
SCHEMBL13409380 0.76 NCF1 (0.46) NR1H2NR1H3PARP1
SCHEMBL7068711 0.74 PPARA (0.51) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL7068717 0.74 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL19000999 0.73 GABRP (0.32) NR1H2NR1H3PARP1
SCHEMBL1124584 0.73 NR1H2 (0.63) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124840 0.70 NR1H2 (0.53) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125069 0.69 NR1H2 (0.59) NR1H2NR1H3PPARGPPARDPPARA

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA NR1H2 11/4885NR1H3 13/4885PARP1 501/4885

“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.