SCHEMBL7152017

SCHEMBL7152017

CCCc1cc(=O)oc2cc(OC(=O)C(C)(C)C)cc(O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.60
▸ HTT P42858 6/20 0.60
▸ KDM4E B2RXH2 8/20 0.55
▸ GAA P10253 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HSD17B10 Q99714 6/20 0.49
▸ HPGD P15428 4/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSD17B3 P37058 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ MAPK10 P53779 1/20 0.47

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
SCHEMBL7150009 0.88 ALDH1A1 (0.60) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL7155946 0.85 ALDH1A1 (0.62) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL3775925 0.79 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL31152138 0.79 ALDH1A1 (0.83) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL7550691 0.78 ALDH1A1 (0.64) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL7248801 0.72 ALDH1A1 (0.60) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL14473838 0.72 POLB (0.53) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL3784471 0.71 ALDH1A1 (1.00) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL7742860 0.71 KMT2A (0.46) ALDH1A1HTTKDM4EGAAKMT2A
SCHEMBL7875506 0.71 ALDH1A1 (0.67) ALDH1A1HTTKDM4EGAAKMT2A

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-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections ADVANCED LIFE SCIENCES, INC. 2003-09-18 — — US disclosed
WO-2003070159-A2 NOVEL COUMARIN AND CHROMENE COMPOUNDS AND METHODS OF TREATING OR PREVENTING VIRAL INFECTIONS SARAWAK MEDICHEM PHARMACEUTICALS (US) 2003-08-28 — — WO disclosed
US-6420571-B2 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
US-6369241-B1 MULTISTAGE REACTION OF KETOESTER WITH 1,3,5-TRIHYDROXYBENZENE TO PRODUCE DIHYDROXYOXOCOUMARONE, COUPLING AND CYCLIZATION SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-04-09 — — US disclosed
US-20020013480-A1 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-01-31 — — US disclosed
EP-1173442-A2 METHODS FOR PREPARING ANTIVIRAL CALANOLIDE COMPOUNDS Sarawak Medichem Pharmaceuticals Inc. (US) 2002-01-23 — — EP disclosed
WO-2000064903-A2 METHODS FOR PREPARING ANTIVIRAL CALANOLIDE COMPOUNDS SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2000-11-02 — — 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 (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-20020013480-A1 Methods for preparing antiviral calanolide compounds ZC3HAV1, ZC3HAV1L, CYP8B1 ALDH1A1 911/4885HTT 4537/4885KDM4E 407/4885
US-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections HAVCR2, PROC, CTRC ALDH1A1 2199/4885HTT 3290/4885KDM4E 3488/4885

“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