SCHEMBL4205690

SCHEMBL4205690

CCCC[C@@H](C)CC(O)CC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 1/20 0.36
RECQL P46063 1/20 0.36
GPR84 Q9NQS5 4/20 0.36
CA1 P00915 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
SCHEMBL4200909 1.00 MAPT (0.40) MAPTCYP3A4TSHRATMTDP1
SCHEMBL5164571 1.00 MAPT (0.40) MAPTCYP3A4TSHRATMTDP1
SCHEMBL4201006 0.90 MGAM (0.39) MAPTCYP3A4TSHRTDP1KMT2A
SCHEMBL4199062 0.90 MGAM (0.39) MAPTCYP3A4TSHRTDP1KMT2A
SCHEMBL9180688 0.84 MGAM (0.43) MAPTCYP3A4TSHRATMTDP1
SCHEMBL1765985 0.84 MGAM (0.43) MAPTCYP3A4TSHRATMTDP1
SCHEMBL22462113 0.84 GPR84 (0.50) MAPTCYP3A4TSHRATMTDP1
SCHEMBL3676004 0.84 GPR84 (0.50) MAPTCYP3A4TSHRATMTDP1
SCHEMBL3676008 0.84 GPR84 (0.50) MAPTCYP3A4TSHRATMTDP1
SCHEMBL4203015 0.82 MGAM (0.41) CYP3A4TSHRTDP1KMT2ALMNA

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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US claimed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 MAPT 1557/4885CYP3A4 4159/4885TSHR 3665/4885

“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.