SCHEMBL22013220

SCHEMBL22013220

C=CCN(CC(C)(C)CCCCC)C(=O)/C=C/CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL18737541 0.99 RXRA (0.35) RXRARXRBRXRGALDH1A1ZDHHC20
SCHEMBL18743181 0.91 RXRA (0.30) RXRARXRBRXRGALDH1A1
SCHEMBL21166373 0.88 RXRA (0.34) RXRARXRBRXRGZDHHC20
SCHEMBL22038993 0.88 RXRA (0.32) RXRARXRBRXRG
SCHEMBL18999618 0.87 RXRA (0.34) RXRARXRBRXRGZDHHC20
SCHEMBL18737544 0.87 RXRA (0.34) RXRARXRBRXRGZDHHC20
SCHEMBL24690710 0.85 ALDH1A1 (0.32) RXRARXRBRXRGALDH1A1
SCHEMBL24690402 0.84 ZDHHC20 (0.42) ALDH1A1ZDHHC20
SCHEMBL18896626 0.84 RXRA (0.31) RXRARXRBRXRGALDH1A1
SCHEMBL18431665 0.84 RXRA (0.31) RXRARXRBRXRGALDH1A1

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-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK RXRA 4248/4885RXRB 4309/4885RXRG 4253/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK RXRA 4248/4885RXRB 4309/4885RXRG 4253/4885

“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.