SCHEMBL3928906

SCHEMBL3928906

COC(=O)CCc1cc(N)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 2/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 1/20 0.43
F2RL1 P55085 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL5884605 0.88 KMT2A (0.51) CYP19A1KMT2AHSD17B1HSD17B2F2RL1
SCHEMBL4055572 0.81 CYP4F2 (0.44) KMT2AHSD17B1HSD17B2F2RL1NFKB1
SCHEMBL16307105 0.81 KMT2A (0.43) KMT2AHSD17B1HSD17B2F2RL1NFKB1
SCHEMBL3940515 0.81 CNR1 (0.47) KMT2AHSD17B1HSD17B2F2RL1NFKB1
SCHEMBL29937542 0.81 KMT2A (0.43) KMT2AHSD17B1HSD17B2F2RL1NFKB1
SCHEMBL22300585 0.81 CYP11B1 (0.39) KMT2AKDM4EGAAMAPTALDH1A1
SCHEMBL22340234 0.78 ALOX5 (0.43) CYP19A1GAASMN1; SMN2CYP1A2
SCHEMBL3933546 0.77 KMT2A (0.52) KMT2AHSD17B1CNR1GAAALDH1A1
SCHEMBL3940442 0.77 GAA (0.51) KMT2AHSD17B1HSD17B2F2RL1KDM4E
SCHEMBL22340197 0.77 PTGS2 (0.44) CYP19A1CNR1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP claimed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO claimed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CYP19A1 87/4885KMT2A 4680/4885HSD17B1 128/4885

“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.