SCHEMBL4990841

SCHEMBL4990841

CCOc1ccc(OCC)c(C(CC)CC(CN)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CREBBP Q92793 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGS2 P35354 3/20 0.38
EPHX1 P07099 2/20 0.38
PLAU P00749 1/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4981326 0.90 KDM4E (0.44) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4984602 0.86 AKR1C3 (0.45) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4989658 0.85 ADRA1A (0.55) AKR1C3AKR1C2HSD17B10PPARALMNA
SCHEMBL27665341 0.85 AKR1C3 (0.43) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4990602 0.84 TSHR (0.40) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4986597 0.84 AKR1C3 (0.43) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4989763 0.83 L3MBTL1 (0.44) KDM4EALDH1A1MAPTL3MBTL1PTGS2
SCHEMBL4991370 0.82 TNF (0.42) KDM4ENPC1USP2RAB9ASMN1; SMN2
SCHEMBL4986175 0.82 PTGS2 (0.39) AKR1C3AKR1C2KDM4ENPC1USP2
SCHEMBL4988083 0.82 AKR1C3 (0.45) AKR1C3AKR1C2SMN1; SMN2ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 AKR1C3 4710/4885AKR1C2 4233/4885KDM4E 3870/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885KDM4E 3684/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885KDM4E 3950/4885

“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.