SCHEMBL4480032

SCHEMBL4480032

CC(C)(C)CCOC(=O)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.49
ACE P12821 6/20 0.44
POLB P06746 2/20 0.43
BCL2 P10415 1/20 0.41
BAD Q92934 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40
TACR1 P25103 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL8620971 0.79 NR1D1 (0.47) NR1D1ACEPOLBTDP1L3MBTL1
SCHEMBL4480030 0.74 NR1D1 (0.61) NR1D1ACEBCL2BAD
SCHEMBL29409306 0.74 NR1D1 (0.61) NR1D1ACEBCL2BAD
SCHEMBL6650752 0.74 NR1D1 (0.61) NR1D1ACEBCL2BAD
SCHEMBL28556786 0.74 NR1D1 (0.68) NR1D1ACEPOLBBCL2BAD
SCHEMBL29409301 0.74 NR1D1 (0.68) NR1D1ACEPOLBBCL2BAD
SCHEMBL29727828 0.74 NPSR1 (0.53) NR1D1NPSR1
SCHEMBL8233145 0.74 NPSR1 (0.53) NR1D1NPSR1
SCHEMBL4573235 0.74 ACE (0.61) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL8908771 0.74 ACE (0.61) ACEPOLBTDP1L3MBTL1CHEK1

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-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 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 (1 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 NR1D1 3551/4885ACE 1718/4885POLB 3098/4885

“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.