SCHEMBL20927031

SCHEMBL20927031

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.57
ZDHHC2 Q9UIJ5 1/20 0.57
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 6/20 0.35
CES2 O00748 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
SCHEMBL19176499 1.00 ZDHHC20 (0.57) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL21166372 0.98 ZDHHC20 (0.59) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL18737457 0.98 ZDHHC20 (0.59) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL21166382 0.98 ZDHHC20 (0.59) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL20216150 0.95 ZDHHC20 (0.56) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL25469140 0.95 ZDHHC20 (0.53) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL24486557 0.92 ZDHHC20 (0.56) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL19069142 0.92 ZDHHC20 (0.50) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL24690197 0.89 ZDHHC20 (0.50) ZDHHC20ZDHHC2CNR1CNR2THRA
SCHEMBL21108685 0.86 ZDHHC20 (0.65) ZDHHC20ZDHHC2CNR1CNR2THRA

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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 ZDHHC20 3551/4885ZDHHC2 3121/4885CNR1 4228/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885CNR1 495/4885

“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.