SCHEMBL4469962

SCHEMBL4469962

CC(=O)Oc1c(C(C)C)cc(O)c(C(C)=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL4475698 0.82 PTGES (0.37) CYP3A4MEN1HPGDKMT2AHTT
SCHEMBL4479467 0.80 HTT (0.54) CYP3A4MEN1HPGDKMT2AHTT
SCHEMBL27708365 0.80 PTGES (0.35) CYP3A4MEN1HPGDKMT2AHTT
SCHEMBL4464395 0.76 CYP3A4 (0.40) CYP3A4MEN1HPGDKMT2AHTT
SCHEMBL6768274 0.74 PREP (0.42) CYP3A4HTTKDM4ETP53GAA
SCHEMBL1928602 0.73 GABRA1 (0.40) HTTPOLBSMN1; SMN2CYP1A2ADRA2A
SCHEMBL5042710 0.72 HTT (0.45) CYP3A4HPGDHTTKDM4ETP53
SCHEMBL17935193 0.72 CA1 (0.46) HTTSMN1; SMN2CYP1A2ADRA2ACYP2D6
SCHEMBL9090807 0.71 THRA (0.45) HPGDKDM4EGAAHSD17B10THRA
SCHEMBL9029438 0.71 BACE1 (0.47) CYP3A4MEN1KMT2AHTTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 CYP3A4 317/4885MEN1 4420/4885HPGD 17/4885

“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.