SCHEMBL5387329

SCHEMBL5387329

CC(C)(C)OC(=O)CC(NCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.45
GABRB1 P18505 2/20 0.45
GABRB2 P47870 2/20 0.45
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 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
SCHEMBL5402611 0.86 CA12 (0.46) ALDH1A1MAPTCTSKMEN1KMT2A
SCHEMBL6936747 0.82 MEN1 (0.41) UTS2RGABRB1GABRB2CYP2D6TSHR
SCHEMBL3576947 0.81 CA12 (0.43) CA12CA1CA7CA14ATM
SCHEMBL1824715 0.79 ABCB1 (0.42) ALDH1A1CA12CA1CA7CA14
SCHEMBL5392603 0.79 ACP3 (0.50) CYP2C9CYP2C19CTSSCTSKKMT2A
SCHEMBL8592999 0.77 CYP2D6 (0.41) UTS2RGABRB1GABRB2CYP2D6TSHR
SCHEMBL1822100 0.76 P2RX7 (0.47) ALDH1A1MAPTKMT2ACA12CA1
SCHEMBL5394620 0.76 SIGMAR1 (0.50) TSHRALDH1A1MAPTCTSKMEN1
SCHEMBL2882332 0.75 MTNR1A (0.58) TSHRCYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2882337 0.75 MTNR1A (0.58) TSHRCYP3A4MAPTCYP2C9CYP2C19

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-7291752-B2 Production method of β-amino acid AJINOMOTO CO., INC. (JP) 2007-11-06 US disclosed
US-20040210064-A1 Production method of beta-amino acid AJINOMOTO CO., INC. (JP) 2004-10-21 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-20040210064-A1 Production method of beta-amino acid BCAT2, BCAT1, AADAT UTS2R 4604/4885GABRB1 319/4885GABRB2 491/4885

“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.