SCHEMBL4192216

SCHEMBL4192216

CCC[C@@H](C)C[C@@H](CC(=O)OCC)N(Cc1ccccc1)[C@@H](C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
F10 P00742 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.38
GPR88 Q9GZN0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALOX5 P09917 1/20 0.35
PPID Q08752 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5188655 1.00 ALDH1A1 (0.40) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4192209 1.00 ALDH1A1 (0.40) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4207996 0.94 F10 (0.39) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4208000 0.94 F10 (0.39) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4196745 0.92 ALDH1A1 (0.41) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4196740 0.92 ALDH1A1 (0.41) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL2311414 0.91 ALDH1A1 (0.43) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL2311421 0.91 ALDH1A1 (0.43) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL7572356 0.90 ALDH1A1 (0.42) ALDH1A1POLBF10LMNAHSD17B10
SCHEMBL4202158 0.87 GPR88 (0.38) ALDH1A1POLBLMNAGPR88MEN1

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 ALDH1A1 1839/4885POLB 2428/4885F10 1770/4885

“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.