4-Hydroxyisolonchocarpin

4-Hydroxyisolonchocarpin

SCHEMBL13535456

CC1(C)C=Cc2cc(C(=O)/C=C/c3ccc(O)cc3)c(O)cc2O1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.81
▸ PTPN1 P18031 3/20 0.72
▸ BACE1 P56817 2/20 0.64
▸ ACHE P22303 2/20 0.64
▸ ODC1 P11926 2/20 0.64
▸ BCHE P06276 1/20 0.64
▸ CYP3A4 P08684 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ ALOX5 P09917 1/20 0.52
▸ CHRNA7 P36544 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ MMP1 P03956 1/20 0.51

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
SCHEMBL19960677 0.92 XDH (0.80) XDHPTPN1BACE1ACHEODC1
SCHEMBL13534948 0.85 XDH (0.76) XDHPTPN1BACE1ACHEODC1
SCHEMBL30383083 0.84 PTPN1 (1.00) XDHPTPN1BACE1ACHEODC1
SCHEMBL31297038 0.82 XDH (0.57) XDHPTPN1BACE1ACHEODC1
SCHEMBL31376263 0.78 PTPN1 (1.00) PTPN1BACE1ACHEODC1BCHE
SCHEMBL19960679 0.78 PTPN1 (1.00) PTPN1BACE1ACHEODC1BCHE
SCHEMBL25296934 0.77 MAPT (0.61) XDHPTPN1ACHEODC1CYP3A4
Demethylencecalin SCHEMBL31238098 0.76 ALDH1A1 (1.00) XDHPTPN1CYP3A4HPGDTDP1
Demethylencecalin SCHEMBL29903823 0.76 ALDH1A1 (1.00) XDHPTPN1CYP3A4HPGDTDP1
SCHEMBL29644899 0.75 PTPN1 (0.61) XDHPTPN1BACE1ACHEODC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES WONKWANG UNIVERSITY CENTER FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-03-15 — — US disclosed
US-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES WONKWANG UNIVERSITY CENTER FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-03-15 — — US disclosed
WO-2010006184-A2 SMALL-MOLECULE INHIBITORS OF HIF AND ANGIOGENESIS EMORY UNIVERSITY (US) 2010-01-14 — — 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-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES RAB35, GANC, GALE XDH 227/4885PTPN1 4504/4885BACE1 236/4885

“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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