Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989183

SCHEMBL4989183

SCHEMBL4989183

Cc1ccc(C)c(C(C)C(C)CC(CN)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL4992940 0.89 ALDH1A1 (0.38) ALDH1A1CYP2C19KMT2AL3MBTL1MAPK1
SCHEMBL4991259 0.86 ALDH1A1 (0.42) ALDH1A1CYP2C19KMT2AL3MBTL1LMNA
SCHEMBL4986115 0.83 KDM4E (0.34) ALDH1A1CYP2C19LMNAMAPK1
SCHEMBL27665304 0.83 ALDH1A1 (0.42) ALDH1A1CYP2C19KMT2AL3MBTL1MAPK1
SCHEMBL4989209 0.83 MME (0.38) ALDH1A1GRIK1GRIK2POLB
SCHEMBL4992591 0.82 GRM1 (0.33) ALDH1A1CYP2C19KMT2AMEN1TDP1
SCHEMBL4984919 0.81 SMN1; SMN2 (0.35) ALDH1A1CYP2C19KMT2AL3MBTL1LMNA
SCHEMBL4984164 0.80 ALDH1A1 (0.41) ALDH1A1CYP2C19KMT2AL3MBTL1LMNA
SCHEMBL4992840 0.80 GRIK1 (0.40) CYP2C19LMNAGRIK1GRIK2POLB
SCHEMBL4992533 0.79 TDP1 (0.39) ALDH1A1CYP2C19KMT2ALMNAMAPK1

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 ALDH1A1 1484/4885CYP2C19 2964/4885KMT2A 1674/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885CYP2C19 3207/4885KMT2A 1763/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885CYP2C19 2842/4885KMT2A 1678/4885

“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.