SCHEMBL1099205

SCHEMBL1099205

COc1cc(OCc2ccccc2)ccc1CC(=O)Nc1cccc(C(OC)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PPARA Q07869 1/20 0.47
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1098455 0.84 SMN1; SMN2 (0.52) MEN1KMT2AUSP2SMN1; SMN2TSHR
SCHEMBL1097150 0.76 L3MBTL1 (0.61) PPARAPPARGL3MBTL1
SCHEMBL10988202 0.76 FFAR1 (0.52) KMT2ASMN1; SMN2
SCHEMBL2173825 0.76 PDGFRB (0.64)
SCHEMBL6203969 0.75 MAOB (0.63) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL1097529 0.74 FLT3 (0.53) MEN1KMT2APPARAL3MBTL1
SCHEMBL2173579 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1
SCHEMBL10995082 0.74 FFAR1 (0.55)
SCHEMBL3716437 0.73 TAS1R3 (0.53) MEN1KMT2APPARATSHRPPARG
SCHEMBL2174210 0.73 PDGFRB (0.63) MEN1KMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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 (2 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 LTA4H 3179/4885MEN1 662/4885KMT2A 3566/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 LTA4H 3190/4885MEN1 572/4885KMT2A 3693/4885

“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.