SCHEMBL4332979

SCHEMBL4332979

c1ccc(COCCOc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.55
HRH3 Q9Y5N1 4/20 0.51
KCNH2 Q12809 2/20 0.51
REN P00797 5/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
S1PR1 P21453 1/20 0.44
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5555630 0.99 FOXM1 (0.56) FOXM1HRH3KCNH2RENCYP2C9
SCHEMBL5249481 0.86 HRH3 (0.60) FOXM1HRH3KCNH2KDM4EKMT2A
SCHEMBL10798982 0.86 HRH3 (0.60) HRH3KCNH2CYP2C9KMT2ASMN1; SMN2
SCHEMBL6654521 0.85 HRH3 (0.58) FOXM1HRH3KCNH2CYP2C9SMN1; SMN2
SCHEMBL7668635 0.82 HRH3 (0.56) FOXM1HRH3KCNH2KDM4EKMT2A
SCHEMBL25730691 0.81 HRH3 (0.45) FOXM1HRH3KCNH2KDM4EKMT2A
SCHEMBL21615694 0.80 HRH3 (0.60) FOXM1HRH3KCNH2KDM4EKMT2A
SCHEMBL16594362 0.79 TSHR (0.56) FOXM1KDM4ESMN1; SMN2LTA4H
SCHEMBL10274532 0.79 HRH3 (0.56) HRH3KCNH2CYP2C9KDM4ESMN1; SMN2
SCHEMBL14667598 0.79 HRH3 (0.47) FOXM1HRH3KCNH2CYP2C9KDM4E

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 10 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-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 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
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 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 FOXM1 696/4885HRH3 955/4885KCNH2 2126/4885

“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.