SCHEMBL21166435

SCHEMBL21166435

C=CC(=O)NCCC(C)(CCCC)CCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.65
ZDHHC2 Q9UIJ5 1/20 0.65
GAA P10253 1/20 0.39
EGFR P00533 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
FAAH O00519 1/20 0.38
EPHX1 P07099 8/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP2 P42575 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL21108685 1.00 ZDHHC20 (0.65) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL18737322 0.98 ZDHHC20 (0.67) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL19240715 0.98 ZDHHC20 (0.67) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL22984904 0.95 ZDHHC20 (0.61) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL19363649 0.92 ZDHHC20 (0.63) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL24486508 0.89 ZDHHC20 (0.57) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL20927031 0.86 ZDHHC20 (0.57) ZDHHC20ZDHHC2THRATHRBFAAH
SCHEMBL19176499 0.86 ZDHHC20 (0.57) ZDHHC20ZDHHC2THRATHRBFAAH
SCHEMBL18999218 0.86 ZDHHC20 (0.67) ZDHHC20ZDHHC2GAAEGFRTHRA
SCHEMBL21166382 0.84 ZDHHC20 (0.59) ZDHHC20ZDHHC2THRATHRBFAAH

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-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 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 (2 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC ZDHHC20 1626/4885ZDHHC2 2316/4885GAA 2218/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK ZDHHC20 3125/4885ZDHHC2 3531/4885GAA 3572/4885

“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.