SCHEMBL13804262

SCHEMBL13804262

COc1ccc(C2(C(=O)Nc3cc4ccccc4c(C4CCC(c5ccccc5)CC4)n3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
ELOVL1 Q9BW60 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CFTR P13569 3/20 0.39
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD11B1 P28845 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL3147231 0.86 SIGMAR1 (0.47) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL2905503 0.80 CACNA1G (0.52) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL4174047 0.76 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL15371489 0.75 SIGMAR1 (0.43) CACNA1GCACNA1HCACNA1IALDH1A1SIGMAR1
SCHEMBL3044827 0.75 CACNA1G (0.48) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL2904146 0.74 HPGD (0.48) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL2926761 0.71 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL2921648 0.71 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL11885452 0.70 ALDH1A1 (0.66) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1
SCHEMBL4117288 0.69 NPC1 (0.60) CACNA1GCACNA1HCACNA1IELOVL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 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-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 CACNA1G 2301/4885CACNA1H 2791/4885CACNA1I 2971/4885

“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.