SCHEMBL27006404

SCHEMBL27006404

CC(C)=CCC/C(C)=C/Cc1c(-c2ccccc2)oc2c(O)c(O)c(O)c(O)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.53
▸ VKORC1 Q9BQB6 1/20 0.53
▸ MGAM O43451 4/20 0.52
▸ GAA P10253 4/20 0.52
▸ SI P14410 4/20 0.52
▸ MGAM2 Q2M2H8 4/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ CYP19A1 P11511 1/20 0.50
▸ MAOA P21397 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ SMPD1 P17405 1/20 0.43

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
SCHEMBL28369886 0.79 VKORC1 (0.65) PTPN1VKORC1MGAMGAASI
SCHEMBL28552754 0.78 VKORC1 (0.67) PTPN1VKORC1MGAMGAASI
SCHEMBL28444444 0.78 VKORC1 (0.67) PTPN1VKORC1MGAMGAASI
SCHEMBL27006392 0.75 PTPN1 (0.52) PTPN1VKORC1MGAMGAASI
SCHEMBL15361080 0.75 CYP3A4 (0.65) PTPN1MGAMGAASIMGAM2
SCHEMBL27971484 0.75 VKORC1 (0.51) PTPN1VKORC1MGAMGAASI
SCHEMBL7047705 0.71 CYP3A4 (0.59) PTPN1VKORC1MGAMABCG2CYP19A1
SCHEMBL20954088 0.71 DYRK1A (0.73) PTPN1ABCG2MAOAPPARGPPARA
SCHEMBL316143 0.70 KDM4E (0.62) GAAABCG2CYP19A1MAOACYP3A4
SCHEMBL20954093 0.70 ABCG2 (0.82) PTPN1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2024-01-18 — — 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-20240016777-A1 COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS THPO, SERPINB1, SERPINC1 PTPN1 1318/4885VKORC1 407/4885MGAM 2440/4885

“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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