SCHEMBL6152498

SCHEMBL6152498

COC(=O)CC(=O)CCc1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
F2RL1 P55085 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
IAPP P10997 2/20 0.37
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL4413571 0.88 TSHR (0.49) ALDH1A1LMNATSHRTAAR1CYP1A2
SCHEMBL28088495 0.82 TAAR1 (0.54) ALDH1A1LMNATAAR1IDO1CYP1A2
SCHEMBL17244592 0.82 ALDH1A1 (0.52) ALDH1A1LMNATSHRTAAR1CYP1A2
SCHEMBL6933016 0.78 ALDH1A1 (0.51) ALDH1A1LMNATSHRCYP4F2CYP4A11
SCHEMBL17361352 0.78 CYP4F2 (0.44) ALDH1A1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL3623804 0.78 CYP1A2 (0.54) ALDH1A1LMNATSHRTAAR1IDO1
SCHEMBL30776972 0.78 CYP1A2 (0.54) ALDH1A1LMNATSHRTAAR1IDO1
SCHEMBL6949395 0.77 PTPN1 (0.48) ALDH1A1LMNATSHRCYP2C19MAPT
SCHEMBL1259772 0.76 TDP1 (0.56) ALDH1A1LMNAF2RL1MAPTTDP1
SCHEMBL17361342 0.75 IAPP (0.55) ALDH1A1LMNATAAR1IDO1CYP1A2

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
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 ALDH1A1 1798/4885LMNA 3127/4885TSHR 4270/4885

“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.