SCHEMBL4662802

SCHEMBL4662802

C=CCOC(=O)CCCOc1ccc2c(=O)c(Br)c3oc4cc(N(CC)CC)ccc4nc-3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.56
GPR84 Q9NQS5 10/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
KEAP1 Q14145 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH2 P05091 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4664473 0.88 SCP2 (0.72) SCP2GPR84MEN1NPC1POLB
SCHEMBL4662862 0.86 SCP2 (0.77) SCP2GPR84MEN1NPC1POLB
SCHEMBL14267415 0.82 SCP2 (0.56) SCP2GPR84MEN1NPC1POLB
SCHEMBL14267412 0.76 MEN1 (0.49) SCP2MEN1NPC1POLBRAB9A
SCHEMBL7812016 0.76 SCP2 (0.78) SCP2GPR84MEN1NPC1POLB
SCHEMBL15398240 0.74 MEN1 (0.64) SCP2MEN1NPC1POLBRAB9A
SCHEMBL7815701 0.73 SCP2 (0.79) SCP2GPR84MEN1NPC1POLB
SCHEMBL4664338 0.73 MEN1 (0.52) SCP2MEN1NPC1POLBRAB9A
SCHEMBL14267417 0.72 SCP2 (1.00) SCP2GPR84MEN1NPC1POLB
SCHEMBL7812704 0.71 SCP2 (0.93) SCP2GPR84MEN1NPC1POLB

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-20080038840-A1 Fluorescent Method And Compounds To Monitor Protein-Lipid Binding EUROPAEISCHES LABORATORIUM FUER MOLEKULARBIOLOGIE (DE) 2008-02-14 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-20080038840-A1 Fluorescent Method And Compounds To Monitor Protein-Lipid Binding DBI, CETP, SREBF1 SCP2 34/4885GPR84 1678/4885MEN1 3143/4885

“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.