SCHEMBL7247052

SCHEMBL7247052

CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(C)cc3)c3c(c12)OC(C)(C)C=C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA13 Q8N1Q1 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ HPGD P15428 5/20 0.39
▸ ALPI P09923 1/20 0.38
▸ MAPT P10636 2/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL7153670 0.77 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9MAPK1
SCHEMBL7246656 0.76 ALDH1A1 (0.51) ALDH1A1CA12CA1CA9CA7
SCHEMBL7170109 0.75 ALDH1A1 (0.56) ALDH1A1CA12CA1CA9CA7
SCHEMBL7871686 0.75 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9CA7
SCHEMBL7248801 0.72 ALDH1A1 (0.60) ALDH1A1CA12CA1CA9MAPK1
SCHEMBL13016765 0.66 ALPL (0.41) ALDH1A1CA12CA1CA9CA2
SCHEMBL13016682 0.66 ALDH1A1 (0.57) ALDH1A1CA12CA1CA9CA7
SCHEMBL13016702 0.66 APAF1 (0.54) ALDH1A1CA12CA1CA9CA7
SCHEMBL3777051 0.66 ALDH1A1 (0.50) ALDH1A1MAPK1NPSR1KMT2AHTT
SCHEMBL3778800 0.65 ALDH1A1 (0.65) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 — — 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 (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 482/4885CA12 4246/4885CA1 4552/4885
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 2199/4885CA12 1686/4885CA1 3792/4885

“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