SCHEMBL3416320

SCHEMBL3416320

CC(C)(C)c1ccc(OCC#Cc2ccc(-c3cccc(CC(=O)O)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.51
▸ NR1H3 Q13133 2/20 0.51
▸ RXRA P19793 2/20 0.51
▸ EGLN1 Q9GZT9 2/20 0.49
▸ FFAR1 O14842 8/20 0.47
▸ NR1H4 Q96RI1 1/20 0.45
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41

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
SCHEMBL3416378 0.90 FFAR1 (0.57) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3413762 0.89 NR1H2 (0.55) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3419226 0.88 FFAR1 (0.50) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3418553 0.88 FFAR1 (0.55) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3415596 0.86 NR1H2 (0.45) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3416635 0.86 FFAR1 (0.50) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3415693 0.83 EGLN1 (0.54) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL3417453 0.83 FFAR1 (0.52) NR1H2NR1H3RXRAEGLN1FFAR1
SCHEMBL13008821 0.82 NR1H4 (0.60) NR1H2NR1H3RXRANR1H4RXRB
SCHEMBL3416922 0.82 RXRA (0.55) NR1H2NR1H3RXRAEGLN1FFAR1

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-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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