SCHEMBL3581972

SCHEMBL3581972

CC(C)C[C@@H](NC(=O)CCC1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
REN P00797 1/20 0.37
CACNA1B Q00975 5/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DRD3 P35462 2/20 0.36
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.36
CAPN1 P07384 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3581970 1.00 DRD2 (0.38) DRD2SMN1; SMN2RENCACNA1BHDAC4
SCHEMBL3580866 0.82 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL560138 0.81 CACNA1B (0.50) SMN1; SMN2CACNA1BHDAC4HDAC1HDAC6
SCHEMBL560137 0.81 CACNA1B (0.50) SMN1; SMN2CACNA1BHDAC4HDAC1HDAC6
SCHEMBL8256601 0.81 CACNA1B (0.50) SMN1; SMN2CACNA1BHDAC4HDAC1HDAC6
SCHEMBL3576552 0.81 CAPN1 (0.52) SMN1; SMN2RENCACNA1BHDAC1KMT2A
SCHEMBL3576555 0.81 CAPN1 (0.52) SMN1; SMN2RENCACNA1BHDAC1KMT2A
SCHEMBL13543713 0.75 TAS1R3 (0.42) NPSR1
SCHEMBL3566181 0.74 NPR3 (0.43) DRD2RENCACNA1BHDAC1KMT2A
SCHEMBL3566178 0.74 NPR3 (0.43) DRD2RENCACNA1BHDAC1KMT2A

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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 DRD2 3516/4885SMN1; SMN2 4351/4885REN 3635/4885

“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.