SCHEMBL4514734

SCHEMBL4514734

COC(=O)C(C)(C)Oc1ccc2cnccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 4/20 0.40
TRPV1 Q8NER1 10/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4513273 0.86 IMPDH2 (0.43) LATS1TRPV1PRKD3PRKCGPRKCB
SCHEMBL31189093 0.83 KDM4E (0.50) LATS1TRPV1PRKD3PRKCGPRKCB
SCHEMBL18318161 0.75 MAOA (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4514048 0.74 CYP3A4 (0.47) SLC22A12
SCHEMBL18979037 0.73 CA12 (0.40) LATS1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4173702 0.71 RAB9A (0.38) KDM4ELMNASMN1; SMN2
SCHEMBL3714813 0.69 KDM4E (0.68) TRPV1KDM4ENSD2ALDH1A1LMNA
SCHEMBL18318687 0.68 PTGS1 (0.38) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3714109 0.68 KDM4E (0.51) TRPV1PRKD3PRKCGPRKCBPRKCA
SCHEMBL9827426 0.66 MAPK1 (0.41) KDM4EALDH1A1SMN1; SMN2ERN1

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-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US disclosed
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US disclosed
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 US disclosed
EP-1979347-A2 POLYCYCLIC 1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 WO 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-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators PPARG, PPARD, PPARA LATS1 4316/4885TRPV1 617/4885PRKD3 686/4885

“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.