SCHEMBL4995080

SCHEMBL4995080

COC(=O)c1cccn(C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MYC P01106 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
BRD4 O60885 2/20 0.37
HSD17B10 Q99714 2/20 0.36
CFTR P13569 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
GLA P06280 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
SCHEMBL4429492 0.90 KDM5A (0.42) KDM4EALDH1A1MYCLMNATSHR
SCHEMBL4989816 0.85 TTR (0.39) KDM4EALDH1A1MYCLMNAHSD17B10
SCHEMBL4429455 0.85 TSHR (0.44) KDM4EALDH1A1MYCLMNATSHR
SCHEMBL4429636 0.81 SLC6A4 (0.47) KDM4EALDH1A1LMNATSHRBRD4
SCHEMBL4993080 0.81 ALDH1A1 (0.41) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL4436595 0.78 MYC (0.41) KDM4EALDH1A1MYCLMNATSHR
SCHEMBL12890135 0.78 ALDH1A1 (0.47) KDM4EALDH1A1MYCLMNATSHR
SCHEMBL4986578 0.78 KDM4E (0.43) KDM4EALDH1A1CFTR
SCHEMBL4429494 0.78 KCNN4 (0.44) KDM4EALDH1A1CFTRATMMAPT
SCHEMBL20524639 0.77 PTGS2 (0.51) KDM4EALDH1A1MYCLMNATSHR

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 KDM4E 2635/4885ALDH1A1 1639/4885MYC 3967/4885

“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.