SCHEMBL4327282

SCHEMBL4327282

CCOC(=O)C(Cc1cccc(C(C)=O)c1)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 9/20 0.44
PPARA Q07869 8/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAOB P27338 2/20 0.41
SLC7A5 Q01650 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEP1B Q16820 1/20 0.40
PDE5A O76074 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 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
SCHEMBL6655346 0.85 PPARG (0.51) PPARGPPARAMAOBSLC7A5
SCHEMBL4329899 0.84 MMP8 (0.39) ALDH1A1TSHRPPARGPPARACYP4F2
SCHEMBL4332258 0.84 GRIA2 (0.42) ALDH1A1TSHRPPARGPPARA
SCHEMBL4332255 0.84 GRIA2 (0.42) ALDH1A1TSHRPPARGPPARA
SCHEMBL10753895 0.83 ALDH1A1 (0.47) ALDH1A1TSHRPPARGPPARACYP4F2
SCHEMBL4334347 0.83 SMN1; SMN2 (0.40) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4332256 0.83 MMP8 (0.38) ALDH1A1TSHRPPARGPPARACYP4F2
SCHEMBL13819361 0.83 CYP4F2 (0.41) ALDH1A1TSHRPPARGPPARACYP4F2
SCHEMBL13810212 0.83 LOXL2 (0.41) ALDH1A1TSHRSLC7A5SMN1; SMN2
Hydrochloric Acid SCHEMBL4332232 0.82 LOXL2 (0.40) ALDH1A1TSHRSLC7A5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN 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 ALDH1A1 844/4885TSHR 532/4885PPARG 379/4885

“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.