SCHEMBL21058262

SCHEMBL21058262

O=c1oc(I)cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.56
MITF O75030 1/20 0.50
ALOX5 P09917 3/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TYMP P19971 1/20 0.46
HTT P42858 1/20 0.44
C1R P00736 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
C1S P09871 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
SCHEMBL31661103 1.00 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL19583424 0.78 PTGES (0.78) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL295232 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL6449120 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL295233 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL28549436 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL3000739 0.75 MITF (0.59) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL1649762 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31604207 0.75 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31179834 0.75 MAPT (0.58) PTGESMITFALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
CN-109251192-B Preparation method of 3-position or 4-position trifluoromethyl substituted isocoumarin 江西师范大学 2022-03-04 CN disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
CN-109251192-A 3 or 4 position trifluoromethyls replace the preparation method of isocoumarin 江西师范大学 2019-01-22 CN disclosed
CN-108623573-A Isocoumarin derivative and synthetic method thereof 河北农业大学 2018-10-09 CN 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 (2 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT PTGES 1283/4885MITF 4350/4885ALOX5 780/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT PTGES 1344/4885MITF 4314/4885ALOX5 821/4885

“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.