SCHEMBL3415596

SCHEMBL3415596

COc1ccc(-c2cccc(CC(=O)O)c2)cc1C#CCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ RXRA P19793 1/20 0.45
▸ PTPN11 Q06124 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ NR1H4 Q96RI1 3/20 0.41
▸ FFAR1 O14842 6/20 0.39
▸ PPARD Q03181 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSA P10619 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL3412374 0.92 NR1H2 (0.50) NR1H2NR1H3RXRAFFAR1PPARD
SCHEMBL3415998 0.91 NR1H4 (0.45) NR1H2NR1H3RXRAPTPN11EGLN1
SCHEMBL3413890 0.89 PTGDR2 (0.44) PTPN11NR1H4FFAR1PPARDALDH1A1
SCHEMBL3416320 0.86 NR1H2 (0.51) NR1H2NR1H3RXRAPTPN11EGLN1
SCHEMBL13433587 0.85 RXRA (0.45) NR1H2NR1H3RXRAPTPN11EGLN1
SCHEMBL3418980 0.84 PTGDR2 (0.44) PTPN11EGLN1NR1H4FFAR1PPARD
SCHEMBL3415719 0.81 PTPN11 (0.47) PTPN11NR1H4FFAR1PPARDALDH1A1
SCHEMBL3416961 0.80 RXRA (0.46) NR1H2NR1H3RXRAPTPN11EGLN1
SCHEMBL3413832 0.80 PTGDR2 (0.46) PTPN11EGLN1PPARD
SCHEMBL3411928 0.80 PTPN11 (0.48) PTPN11NR1H4FFAR1PPARDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765950-B2 Reagents for biomolecular labeling, detection and quantification employing raman spectroscopy PURDUE RESEARCH FOUNDATION (US) 2014-07-01 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 — — US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 — — 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR NR1H2 17/4885NR1H3 15/4885RXRA 31/4885

“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.

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