SCHEMBL19009140

SCHEMBL19009140

CCCc1ccc(CC)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
BACE1 P56817 1/20 0.31
SLC5A2 P31639 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL45848 0.86 TP53 (0.33) NOS3NOS2CYP1A2POLBSLC5A2
SCHEMBL12356544 0.82 KCNH2 (0.45) CYP19A1KDM4ELMNACYP3A4KCNH2
SCHEMBL19009143 0.82 KCNH2 (0.45) CYP19A1NOS2KCNH2SLC5A2
SCHEMBL17858892 0.80 NOS2 (0.36) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL12678552 0.78 NOS2 (0.44) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL4553008 0.78 CYP19A1 (0.33) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL10841047 0.78 CYP19A1 (0.33) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL3182612 0.78 ALDH1A1 (0.48) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL21690815 0.77 CYP19A1 (0.33) CYP19A1NOS3NOS1NOS2KDM4E
SCHEMBL18647537 0.77 NOS3 (0.39) CYP19A1NOS3NOS1NOS2KDM4E

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-20170174826-A1 DONOR-ACCEPTOR POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-22 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-20170174826-A1 DONOR-ACCEPTOR POLYMERS TST, ETFA, SQOR CYP19A1 2200/4885NOS3 1252/4885NOS1 1919/4885

“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.