SCHEMBL4337170

SCHEMBL4337170

COc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
CNR1 P21554 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
FPR2 P25090 1/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL4343670 0.91 TSHR (0.44) SMN1; SMN2KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL4343594 0.91 NPSR1 (0.43) MMP1SMN1; SMN2KMT2AMEN1FPR2
SCHEMBL4332223 0.91 CNR1 (0.45) MMP1CNR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4331640 0.91 PPARG (0.42) CNR1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL4341998 0.88 CYP1A2 (0.43) GAASMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL4338073 0.88 LDHA (0.51) CNR1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL4328750 0.88 PPARA (0.56) MMP1PPARAPPARGPPARD
SCHEMBL4331703 0.88 ADRB2 (0.41) MMP1GAASMN1; SMN2KMT2AMEN1
SCHEMBL4327189 0.85 PPARG (0.48) GAASMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL4342690 0.85 PPARG (0.48) GAASMN1; SMN2KMT2AALDH1A1CYP1A2

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 MMP1 1890/4885CNR1 75/4885GAA 2303/4885

“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.