SCHEMBL9004082

SCHEMBL9004082

CC(N)(C(=O)O)c1cccc(CC(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 2/20 1.00
PKM P14618 1/20 0.53
NR1H4 Q96RI1 3/20 0.48
AKR1B1 P15121 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL9004090 1.00 CYP1A2 (1.00) CYP1A2CYP2C19PKMNR1H4AKR1B1
SCHEMBL892932 0.83 CYP1A2 (0.71) CYP1A2CYP2C19NR1H4AKR1B1CYP26A1
SCHEMBL27952989 0.83 CYP2C19 (0.71) CYP1A2CYP2C19NR1H4AKR1B1CYP26A1
SCHEMBL23758511 0.80 CYP1A2 (0.67) CYP1A2CYP2C19NR1H4AKR1B1CYP26A1
SCHEMBL29093677 0.80 CYP1A2 (0.66) CYP1A2CYP2C19NR1H4AKR1B1CYP2D6
SCHEMBL3623604 0.77 CYP1A2 (0.62) CYP1A2CYP2C19NR1H4AKR1B1RXRA
SCHEMBL378581 0.76 MEN1 (0.65) CYP1A2CYP2C19AKR1B1RXRARXRB
SCHEMBL21133735 0.76 CYP1A2 (0.61) CYP1A2CYP2C19PKMCYP2D6MAPT
SCHEMBL29726934 0.76 CYP1A2 (0.61) CYP1A2CYP2C19PKMCYP2D6MAPT
SCHEMBL29935522 0.76 MEN1 (0.65) CYP1A2CYP2C19AKR1B1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948159-A Siloxane supercritical carbon dioxide thickener and preparation method thereof 西南石油大学 2023-10-27 CN claimed
CN-116948159-A Siloxane supercritical carbon dioxide thickener and preparation method thereof 西南石油大学 2023-10-27 CN disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO 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 (2 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS CYP1A2 4732/4885CYP2C19 4485/4885PKM 2358/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS CYP1A2 4648/4885CYP2C19 4619/4885PKM 2969/4885

“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.