SCHEMBL23915585

SCHEMBL23915585

CCCCCCCC(C)OCOC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NAAA Q02083 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL27753673 0.80 FAAH (0.54) FAAHCNR1CNR2CA2ALDH1A1
SCHEMBL31470621 0.80 FAAH (0.54) FAAHCNR1CNR2CA2ALDH1A1
SCHEMBL27709034 0.79 CA1 (0.46) FAAHZDHHC7MAPTCA2ACE2
SCHEMBL27849177 0.76 TSHR (0.50) FAAHCNR1CNR2ZDHHC7MAPT
SCHEMBL16973568 0.75 ACE2 (0.50) FAAHZDHHC7MAPTCA2ACE2
SCHEMBL16795951 0.75 ACE2 (0.50) FAAHZDHHC7MAPTCA2ACE2
SCHEMBL18334305 0.75 PRSS1 (0.48) FAAHZDHHC7MAPTCA2ALDH1A1
SCHEMBL79493 0.75 PRSS1 (0.48) FAAHZDHHC7MAPTCA2ALDH1A1
SCHEMBL18595283 0.75 PRSS1 (0.48) FAAHZDHHC7MAPTCA2ALDH1A1
SCHEMBL26312888 0.73 TSHR (0.47) ZDHHC7MAPTCA2ALDH1A1USP2

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 FAAH 2359/4885CNR1 564/4885CNR2 419/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E FAAH 1637/4885CNR1 1081/4885CNR2 934/4885

“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.