SCHEMBL22420161

SCHEMBL22420161

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
PSMB5 P28074 3/20 0.35
TSHR P16473 2/20 0.34
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL28095838 0.84 CA12 (0.43) ZDHHC20ZDHHC2PSMB5TSHRCA1
SCHEMBL2004205 0.83 ZDHHC20 (0.46) ZDHHC20ZDHHC2PSMB5TSHRCA1
SCHEMBL19801200 0.83 ALDH1A1 (0.38) ZDHHC20ZDHHC2TSHRCA1CA12
SCHEMBL14413797 0.83 ZDHHC20 (0.38) ZDHHC20ZDHHC2PSMB5TSHRALDH1A1
SCHEMBL18643288 0.82 ZDHHC20 (0.33) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL14528303 0.81 ZDHHC20 (0.34) ZDHHC20ZDHHC2TSHRCA1CA12
SCHEMBL16776772 0.79 ZDHHC20 (0.56) ZDHHC20ZDHHC2PSMB5TSHRCA1
SCHEMBL633117 0.79 ZDHHC20 (0.51) ZDHHC20ZDHHC2PSMB5TSHRCA1
SCHEMBL2560026 0.79 ZDHHC20 (0.47) ZDHHC20ZDHHC2PSMB5TSHRCA1
SCHEMBL27841026 0.79 ZDHHC20 (0.38) ZDHHC20ZDHHC2PSMB5TSHRALDH1A1

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-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 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-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885PSMB5 3458/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885PSMB5 2431/4885

“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.