SCHEMBL18897233

SCHEMBL18897233

C=CC(=O)N(C)CCC(C)(C)CCC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18948719 0.90 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHR
SCHEMBL20216191 0.87 ZDHHC20 (0.32) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL9004532 0.81 THRA (0.32) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL18897162 0.81 ZDHHC20 (0.40) ZDHHC20ZDHHC2
SCHEMBL308561 0.78
SCHEMBL21166401 0.78 ZDHHC20 (0.38) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL19569740 0.77 CASP1 (0.33) ZDHHC20ZDHHC2
SCHEMBL18737520 0.77 ZDHHC20 (0.37) ZDHHC20ZDHHC2TSHR
Trimethylammonium SCHEMBL170933 0.77 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL3255350 0.76 ALDH1A1 (0.38) ZDHHC20ZDHHC2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 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-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885ALDH1A1 684/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ZDHHC20 2150/4885ZDHHC2 2325/4885ALDH1A1 2583/4885

“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.