SCHEMBL6508987

SCHEMBL6508987

O=c1oc(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.44
▸ MITF O75030 1/20 0.40
▸ ALOX5 P09917 3/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TYMP P19971 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL2427955 0.77 CYP1B1 (0.51) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL2425083 0.77 TNKS (0.45) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29461449 0.70 STS (0.45) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL23001413 0.68 TDP1 (0.47) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL19583424 0.67 PTGES (0.78) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL16566484 0.66 CYP1A2 (0.44) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL2430119 0.65 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL1649762 0.64 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL31661103 0.64 PTGES (0.56) PTGESMITFALOX5ALDH1A1HPGD
SCHEMBL6449120 0.64 PTGES (0.56) 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-20050043411-A1 Process for preparing homophthalate derivatives TJGEL, LLC 2005-02-24 — — US disclosed
US-6797838-B2 Process for preparing homophthalate derivatives ILEX PRODUCTS, INC. 2004-09-28 — — US disclosed
EP-1404662-A2 PROCESS FOR PREPARING ISOCOUMARINS Ilex Products, Inc. (US) 2004-04-07 — — EP disclosed
US-20040024240-A1 Process for preparing homophthalate derivatives GENZYME CORPORATION 2004-02-05 — — US disclosed
US-6664401-B2 Reacting a isochroman-1,3-dione with a carbonyl compound whose carbonyl group is substituted with an acyl activating group, in the presence of a base and a solvent; use making anticancer agents for example ILEX PRODUCTS, INC. 2003-12-16 — — US disclosed
US-20030105340-A1 Process for preparing isocoumarins GENZYME CORPORATION 2003-06-05 — — US disclosed
WO-2003004486-A2 PROCESS FOR PREPARING ISOCOUMARINS ILEX PRODUCTS, INC. (US) 2003-01-16 — — 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 (3 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-20030105340-A1 Process for preparing isocoumarins DHPS, IDH2, IDH1 PTGES 1735/4885MITF 3932/4885ALOX5 594/4885
US-20050043411-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH PTGES 1170/4885MITF 1312/4885ALOX5 603/4885
US-20040024240-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH PTGES 1170/4885MITF 1312/4885ALOX5 603/4885

“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.

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