SCHEMBL21283007

SCHEMBL21283007

COC(=O)CCC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
GHSR Q92847 2/20 0.40
FOLH1 Q04609 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
TACR1 P25103 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL14429284 0.93 KMT2A (0.43) KMT2AGHSRFOLH1KDM4EALDH1A1
SCHEMBL18868656 0.91 KMT2A (0.43) KMT2AGHSRFOLH1KDM4EALDH1A1
SCHEMBL14429285 0.83 FOLH1 (0.50) KMT2AFOLH1HTTTACR1CA1
SCHEMBL5981451 0.83 KMT2A (0.44) KMT2AHTTTACR1CA1CA2
SCHEMBL18868658 0.82 LMNA (0.44) GHSRFOLH1KDM4EALDH1A1LMNA
SCHEMBL23398110 0.81 KDM4E (0.41) GHSRFOLH1KDM4EALDH1A1LMNA
SCHEMBL8920618 0.79 KMT2A (0.51) KMT2AHTTTACR1CA1CA2
SCHEMBL12636372 0.79 KMT2A (0.50) KMT2AHTTTACR1CA1CA2
SCHEMBL9837878 0.79 CA1 (0.45) KMT2AHTTTACR1CA1CA2
SCHEMBL18868661 0.79 LMNA (0.43) KDM4EALDH1A1LMNACA7CA9

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-10723750-B2 Sphingamide compounds and methods for binding iNKT cells LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2020-07-28 US disclosed
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2019-08-22 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-10723750-B2 Sphingamide compounds and methods for binding iNKT cells UGCG, CD4, CERT1 KMT2A 603/4885GHSR 954/4885FOLH1 1855/4885
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS UGCG, CD4, CERT1 KMT2A 603/4885GHSR 954/4885FOLH1 1855/4885

“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.