SCHEMBL4331640

SCHEMBL4331640

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARA Q07869 4/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 2/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13810554 0.92 PPARG (0.43) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL13810562 0.92 PPARG (0.42) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL13810553 0.92 PPARG (0.45) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL4335108 0.91 L3MBTL1 (0.42) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL13810572 0.91 KMT2A (0.43) PPARGPPARAPPARDKMT2ASMN1; SMN2
SCHEMBL4337170 0.91 MMP1 (0.44) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL4327391 0.90 ALDH1A1 (0.46) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL13810555 0.90 PPARG (0.41) PPARGPPARAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4334617 0.89 ALDH1A1 (0.41) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL4339592 0.88 KDM4E (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARG 379/4885PPARA 339/4885PPARD 753/4885

“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.