SCHEMBL4341925

SCHEMBL4341925

CC(C)OC(Cc1ccccc1COC(=O)Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
F2R P25116 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4329791 0.89 LMNA (0.44) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4341658 0.87 MAPT (0.48) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4335538 0.86 KMT2A (0.45) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4327192 0.86 CYP1A2 (0.56) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4328015 0.85 NPC1 (0.47) ALDH1A1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL4335160 0.85 LMNA (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL4341921 0.85 SAE1 (0.42) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL6727481 0.84 MAPT (0.47) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4334182 0.83 MGLL (0.45) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL4335130 0.82 FPR2 (0.47) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP2C19

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 3 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-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 844/4885SMN1; SMN2 3054/4885MEN1 4091/4885

“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.