SCHEMBL29633838

SCHEMBL29633838

COC(CC(=O)O)Cc1ccccc1C(=O)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
LMNA P02545 1/20 0.36
MMP12 P39900 1/20 0.35
P2RX3 P56373 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TGFBR1 P36897 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
GSTP1 P09211 1/20 0.33

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
SCHEMBL2436089 0.80 P2RX3 (0.41) SLC6A3P2RX3CCNA2CDK2CCNA1
SCHEMBL10671807 0.78 P2RX3 (0.40) SLC6A3P2RX3CCNA2CDK2CCNA1
SCHEMBL24199697 0.75 TDP1 (0.57) TDP1MEN1KMT2ANPSR1
SCHEMBL29750678 0.75 NPC1 (0.51) SLC6A3P2RX3TGFBR1ALDH1A1HPGD
SCHEMBL10671815 0.73 SLC6A3 (0.39) SLC6A3LMNAP2RX3CCNA2CDK2
SCHEMBL4082004 0.72 GSTP1 (0.49) SLC6A3P2RX3CCNA2CDK2CCNA1
SCHEMBL30423559 0.69 P2RX7 (0.50) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL5020592 0.69 P2RX3 (0.51) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL28741551 0.68 P2RX3 (0.39) SLC6A3LMNAP2RX3CCNA2CDK2
SCHEMBL10677832 0.68 MGLL (0.41) P2RX3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR SLC6A3 489/4885LMNA 4663/4885MMP12 3364/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR SLC6A3 489/4885LMNA 4663/4885MMP12 3364/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR SLC6A3 489/4885LMNA 4663/4885MMP12 3364/4885

“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.