SCHEMBL4334174

SCHEMBL4334174

BrCCOc1ccc(C2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
KCNH2 Q12809 4/20 0.58
CYP2C9 P11712 5/20 0.46
CYP3A4 P08684 4/20 0.46
KDM4E B2RXH2 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL4339149 0.98 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4NFE2L2
SCHEMBL5556221 0.89 HRH3 (0.63) HRH3KCNH2CYP2C9CYP3A4KDM4E
SCHEMBL9808038 0.85 HRH3 (0.71) HRH3KCNH2CYP2C9CYP3A4KDM4E
SCHEMBL26041153 0.84 SLC18A3 (0.47) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL4361161 0.83 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4HTR1A
SCHEMBL26154147 0.81 HRH3 (0.58) HRH3KCNH2CYP2C9CYP3A4KDM4E
SCHEMBL5550670 0.81 HRH3 (0.58) HRH3KCNH2CYP2C9CYP3A4MEN1
SCHEMBL6654521 0.81 HRH3 (0.58) HRH3KCNH2CYP2C9CYP3A4NPC1
SCHEMBL4333330 0.80 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4NFE2L2
SCHEMBL10798982 0.80 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4MEN1

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 HRH3 955/4885KCNH2 2126/4885CYP2C9 2186/4885

“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.