SCHEMBL4932369

SCHEMBL4932369

CC(C)c1c(O)cccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CA9 Q16790 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CA5A P35218 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL29559292 0.84 TRPA1 (0.38) GABRA1GABRB2CA2CA1HPGD
SCHEMBL22288359 0.83 LMNA (0.36) GABRA1GABRB2CA2CA1HPGD
SCHEMBL725385 0.83 GABRA1 (0.52) GABRA1GABRB2CA2CA1HPGD
SCHEMBL4936061 0.79 TSHR (0.52) GABRA1GABRB2CA2CA1HPGD
SCHEMBL184407 0.79 TRPA1 (0.52) GABRA1GABRB2CA2CA1HPGD
SCHEMBL30309279 0.79 TRPA1 (0.52) GABRA1GABRB2CA2CA1HPGD
SCHEMBL15371490 0.76 CA1 (0.42) GABRA1GABRB2CA2CA1HPGD
SCHEMBL16527993 0.76 GABRA1 (0.46) GABRA1GABRB2CA2CA1HPGD
SCHEMBL30521988 0.74 GABRA1 (0.62) GABRA1GABRB2CA2CA1HPGD
SCHEMBL478223 0.74 GABRA1 (0.62) GABRA1GABRB2CA2CA1HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277958-A Subtiprotero derivatives 俄勒冈健康科学大学 2021-08-20 CN disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
CN-109475121-A Subtiprotero derivatives 俄勒冈健康科学大学 2019-03-15 CN disclosed
CN-107848940-A Sobeirome derivatives 俄勒冈健康科学大学 2018-03-27 CN disclosed
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 US disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 US disclosed
EP-0583712-B1 Process for the preparation of bisphenols BAYER AG (DE) 1997-04-23 EP disclosed
EP-0583712-A2 Process for the preparation of bisphenols BAYER AG (DE) 1994-02-23 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 (4 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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 GABRA1 3412/4885GABRB2 4004/4885CA2 2598/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP GABRA1 1944/4885GABRB2 2725/4885CA2 3202/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 GABRA1 3412/4885GABRB2 4004/4885CA2 2598/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP GABRA1 1944/4885GABRB2 2725/4885CA2 3202/4885

“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.