SCHEMBL5058744

SCHEMBL5058744

CC(C)(C)C(=O)c1ccc([C](c2ccc(C(=O)C(C)(C)C)cc2)c2ccc(C(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ELANE P08246 3/20 0.39
CA2 P00918 1/20 0.39
HDAC1 Q13547 1/20 0.37
CES1 P23141 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRD5A2 P31213 1/20 0.35
MLYCD O95822 4/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL10031827 0.92 PGR (0.47) PGRARELANECA2HDAC1
SCHEMBL15745797 0.84 PGR (0.51) PGRARELANECA2L3MBTL1
SCHEMBL10483771 0.84 ELANE (0.54) PGRARELANESRD5A2ALDH1A1
SCHEMBL11823338 0.82 MAPT (0.50) PGRARL3MBTL1ALDH1A1LMNA
SCHEMBL759623 0.82 ESR1 (0.52) ARELANECA2SRD5A2TSHR
SCHEMBL11437940 0.82 PGR (0.42) PGRARELANECA2HDAC1
SCHEMBL1665113 0.82 TSHR (0.60) CA2CES1SRD5A2TP53TSHR
SCHEMBL1665111 0.82 PGR (0.42) PGRARELANECA2HDAC1
SCHEMBL1701967 0.82 CA2 (0.57) CA2HDAC1CES1SRD5A2ALDH1A1
SCHEMBL24354428 0.80 TPMT (0.52) PGRARELANECA2

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-7355036-B2 Two-stage protective groups for the synthesis of biopolymers FEBIT AG (DE) 2008-04-08 US disclosed
US-20040197851-A1 Two-stage protective groups for the synthesis of biopolymers MR. CHRISTOPHER SEAGON, ESQ. (DE) 2004-10-07 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-20040197851-A1 Two-stage protective groups for the synthesis of biopolymers CTRB2, OGG1, CPB2 PGR 3917/4885AR 4641/4885ELANE 1493/4885

“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.