SCHEMBL7246656

SCHEMBL7246656

CCCc1cc(=O)oc2cc(OC(=O)C(C)(C)C)c3c(c12)OC(C)(C)C=C3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA13 Q8N1Q1 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ HTT P42858 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 10/20 0.41
▸ HSD17B10 Q99714 8/20 0.41
▸ HPGD P15428 6/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL7249235 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871728 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7170109 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871684 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871686 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7247052 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7150009 0.75 ALDH1A1 (0.60) ALDH1A1MAPK1NPSR1HTTKMT2A
SCHEMBL7152017 0.71 ALDH1A1 (0.60) ALDH1A1MAPK1HTTKMT2ASMN1; SMN2
SCHEMBL8467499 0.69 ALDH1A1 (0.63) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL6652226 0.69 ALDH1A1 (0.60) ALDH1A1MAPK1CA12CA1CA7

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 6 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
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 911/4885MAPK1 4331/4885CA12 868/4885
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 2199/4885MAPK1 1046/4885CA12 1686/4885

“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