SCHEMBL3419217

SCHEMBL3419217

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ RXRA P19793 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PTPN11 Q06124 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ FFAR1 O14842 2/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ CTSA P10619 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3418441 0.91 MEN1 (0.53) LMNAKDM4ENR1H2NR1H3RXRA
SCHEMBL3416517 0.90 NR1H2 (0.53) MAPTLMNAALDH1A1KDM4ENR1H2
SCHEMBL3417537 0.88 KMT2A (0.46) MEN1KMT2APTPN11NR1H4GAA
SCHEMBL3413848 0.85 RXRA (0.46) NR1H2NR1H3RXRAFFAR1PPARD
SCHEMBL3411776 0.83 MEN1 (0.43) MEN1KMT2APTPN11FFAR1PPARD
SCHEMBL3410529 0.80 KMT2A (0.48) LMNAMEN1KMT2APTPN11GAA
SCHEMBL3416099 0.80 FFAR1 (0.52) MAPTLMNAALDH1A1NR1H2NR1H3
SCHEMBL3410463 0.80 MRGPRX4 (0.46) LMNAMEN1KMT2APTPN11FFAR1
SCHEMBL3415786 0.80 MRGPRX4 (0.46) LMNAALDH1A1KDM4EKMT2APTPN11
SCHEMBL3416662 0.79 FFAR1 (0.60) NR1H2NR1H3RXRAFFAR1PPARD

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 MAPT 4765/4885LMNA 1778/4885ALDH1A1 1626/4885

“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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