SCHEMBL22844486

SCHEMBL22844486

CCCCC(C)(C)C(=O)OCC(C)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
PRKCA P17252 1/20 0.34
ELANE P08246 1/20 0.33
FAAH O00519 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MAPK1 P28482 1/20 0.32
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 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
SCHEMBL18856312 0.90 CYP4F2 (0.39) CYP4F2CYP4A11CA2CA1PRKCA
SCHEMBL18388526 0.84 TSHR (0.35) CYP4F2CYP4A11CA2CA1PRKCA
SCHEMBL1911530 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CA2CA1PRKCA
SCHEMBL18388276 0.84 PRKCA (0.47) CYP4F2CYP4A11CA2CA1PRKCA
SCHEMBL16188167 0.81 CA2 (0.41) CYP4F2CYP4A11CA2CA1FAAH
SCHEMBL1911430 0.79 CYP4F2 (0.50) CYP4F2CYP4A11CA2CA1PRKCA
SCHEMBL7030712 0.79 CA1 (0.31) CA2CA1
SCHEMBL13101897 0.79 TSHR (0.37) CA2CA1PRKCAFAAHMAPT
SCHEMBL17298048 0.79 ACE2 (0.45) CA2CA1FAAHMAPTACE2
SCHEMBL10087754 0.78 CYP4F2 (0.53) CYP4F2CYP4A11ELANEMAPTTSHR

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-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885CA2 4436/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885CA2 4436/4885

“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.