SCHEMBL5420740

SCHEMBL5420740

CCCCC(CC)COC(=O)C[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.68
TSHR P16473 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
ATM Q13315 1/20 0.68
RECQL P46063 1/20 0.64
ALDH1A1 P00352 6/20 0.51
CA2 P00918 4/20 0.51
MAPK1 P28482 3/20 0.49
MAPT P10636 1/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL5420738 1.00 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL20368911 0.88 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28246238 0.88 CYP3A4 (0.74) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL22091828 0.87 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10142335 0.85 RECQL (0.67) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL22091930 0.85 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL475612 0.85 RECQL (0.67) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL21811427 0.85 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL19611353 0.85 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27587426 0.85 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230144-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2007-06-12 US disclosed
US-7166743-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX, INC. (US) 2007-01-23 US disclosed
US-7001969-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2006-02-21 US disclosed
US-6933404-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-08-23 US disclosed
US-20050182235-A1 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC., A DELAWARE CORPORATION 2005-08-18 US disclosed
US-6897338-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX, INC. (US) 2005-05-24 US disclosed
US-20050101760-A1 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-05-12 US disclosed
US-6844447-B2 Methods of making intermediates from polyhydroxyalkanoates METABOLIX INC. (US) 2005-01-18 US disclosed
US-20030162851-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-28 US disclosed
US-20030158274-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-21 US disclosed
US-20030158441-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-08-21 US disclosed
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-07-31 US disclosed
WO-2003051813-A1 METHODS OF MAKING INTERMEDIATES FROM POLYHYDROXYALKANOATES METABOLIX, INC. (US) 2003-06-26 WO 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-20030158441-A1 Methods of making intermediates from polyhydroxyalkanoates HMBS, COASY, PGLS CYP3A4 338/4885TSHR 4408/4885TDP1 1103/4885
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates HMBS, COASY, PGLS CYP3A4 338/4885TSHR 4408/4885TDP1 1103/4885

“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.