SCHEMBL7170109

SCHEMBL7170109

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA13 Q8N1Q1 2/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ HTT P42858 5/20 0.52
▸ KDM4E B2RXH2 5/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42

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 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871728 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7246656 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871686 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7871684 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL8926859 0.77 ALDH1A1 (0.59) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL6652226 0.76 ALDH1A1 (0.60) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL6628817 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL7103733 0.76 ALDH1A1 (0.57) ALDH1A1MAPK1CA12CA1CA7
SCHEMBL6628820 0.76 ALDH1A1 (0.57) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420571-B2 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-07-16 — — US claimed
US-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 — — US claimed
WO-2000064902-A2 PROCESS FOR THE PREPARATION OF CALANOLIDE PRECURSORS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-11-02 — — WO claimed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — 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-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-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
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
EP-1173442-A2 METHODS FOR PREPARING ANTIVIRAL CALANOLIDE COMPOUNDS Sarawak Medichem Pharmaceuticals Inc. (US) 2002-01-23 — — EP disclosed
US-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 — — US disclosed
WO-2000064903-A3 METHODS FOR PREPARING ANTIVIRAL CALANOLIDE COMPOUNDS SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2001-07-05 — — WO disclosed
WO-2000064902-A2 PROCESS FOR THE PREPARATION OF CALANOLIDE PRECURSORS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-11-02 — — WO disclosed
WO-2000064903-A2 METHODS FOR PREPARING ANTIVIRAL CALANOLIDE COMPOUNDS SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2000-11-02 — — WO 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALDH1A1 482/4885MAPK1 587/4885CA12 4246/4885
US-20020013480-A1 Methods for preparing antiviral calanolide compounds ZC3HAV1, ZC3HAV1L, CYP8B1 ALDH1A1 911/4885MAPK1 4331/4885CA12 868/4885

“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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