SCHEMBL6701634

SCHEMBL6701634

CC(C(=O)O)C1c2ccccc2C(=O)N(C)c2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.44
NR1H2 P55055 3/20 0.44
LMNA P02545 2/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3136524 0.74 CYP1A2 (0.56) LMNAKMT2APOLBMEN1MAPT
SCHEMBL3220109 0.72 TSHR (0.49) KMT2APOLBMAPTSMN1; SMN2TSHR
SCHEMBL12231653 0.69 ESR1 (0.43) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL3231552 0.65 NR1H2 (0.51) NR1H3NR1H2MAPTTDP1ALDH1A1
SCHEMBL3231075 0.65 NR1H2 (0.51) NR1H3NR1H2MAPTTDP1ALDH1A1
SCHEMBL3231078 0.65 NR1H2 (0.51) NR1H3NR1H2MAPTTDP1ALDH1A1
SCHEMBL562407 0.64 CYP1A2 (0.56) LMNAKMT2APOLBCYP1A2TSHR
SCHEMBL10551223 0.64 GAA (0.49) LMNAKMT2APOLBKDM4EMEN1
SCHEMBL2530643 0.64 ESR1 (0.37) LMNAKMT2AKDM4EMEN1MAPT
SCHEMBL8797491 0.62 MEN1 (0.45) NR1H3NR1H2LMNAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 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-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B NR1H3 2173/4885NR1H2 2320/4885LMNA 3282/4885

“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.