SCHEMBL7108857

SCHEMBL7108857

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ELANE P08246 1/20 0.43
TSHR P16473 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
MAP2K1 Q02750 1/20 0.41
FAAH O00519 1/20 0.40
GRM5 P41594 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL6163207 0.96 TSHR (0.46) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL7105719 0.96 POLB (0.47) POLBRXFP1PDE3BPDE3AELANE
SCHEMBL6163869 0.95 POLB (0.45) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL7100385 0.93 POLB (0.43) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL7106877 0.91 PDE3B (0.42) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL6170882 0.91 MAPT (0.45) POLBRXFP1PDE3BPDE3AELANE
SCHEMBL7108911 0.90 POLB (0.42) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL6161408 0.90 CHRM2 (0.42) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL7106932 0.90 POLB (0.44) POLBRXFP1KDM4EALDH1A1HSD17B10
SCHEMBL6163960 0.90 KLKB1 (0.48) KDM4EALDH1A1HSD17B10ELANESMN1; SMN2

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI POLB 3482/4885RXFP1 1251/4885KDM4E 2473/4885

“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.