SCHEMBL18526958

SCHEMBL18526958

COCOc1cc(O)c(C=CC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 6/20 0.53
▸ APP P05067 2/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ KRAS P01116 1/20 0.44

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
SCHEMBL4414036 0.88 ABCG2 (0.50) TNFRSF1AAPPPTPN1MAOB
SCHEMBL18526959 0.83 PDE4A (0.60) TNFRSF1AAPPPDE4APDE4BPDE4C
SCHEMBL8064391 0.82 PTPN1 (0.56) TNFRSF1AAPPPTPN1PDE4APDE4B
SCHEMBL17237769 0.82 MAOB (0.67) TNFRSF1AAPPPTPN1MAOB
SCHEMBL8052936 0.81 PTPN1 (0.57) TNFRSF1AAPPPTPN1MAOB
SCHEMBL4883621 0.79 ABCG2 (0.65) APPPTPN1MAOB
SCHEMBL5318918 0.79 ABCG2 (0.65) APPPTPN1MAOB
SCHEMBL27630436 0.76 ABCG2 (0.50) PTPN1MAOB
SCHEMBL24983864 0.75 PDE4A (0.63) TNFRSF1AAPPPDE4APDE4BPDE4C
SCHEMBL29179321 0.75 PDE4A (0.63) TNFRSF1AAPPPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10058582-B2 Therapeutic molecules and deviates for CRC ANTARTINA LLC (US) 2018-08-28 — — US disclosed
US-20170049839-A1 Therapeutic molecules & deviates for CRC NEOCAGE SL (AD) 2017-02-23 — — US 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-10058582-B2 Therapeutic molecules and deviates for CRC DLD, APC, SEPTIN7 TNFRSF1A 4307/4885APP 3500/4885PTPN1 4335/4885

“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.

Send feedback