SCHEMBL13016736

SCHEMBL13016736

COc1cc(-c2cc(=O)oc3cc(O)cc(O)c23)cc(C)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ HPGD P15428 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ MAP1LC3B Q9GZQ8 1/20 0.54
▸ CASP1 P29466 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MGAM O43451 2/20 0.50
▸ AKR1B1 P15121 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48

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
SCHEMBL3783693 0.93 ABCB1 (0.64) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL15501074 0.86 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6095495 0.81 MAOA (0.76) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL30677926 0.76 MAP1LC3B (0.68) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL29115331 0.76 MAP1LC3B (0.68) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4918477 0.73 MAOA (0.83) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8580581 0.72 MAP1LC3B (0.80) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL38660420 0.72 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL27823419 0.72 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL11095245 0.72 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2AMAPT

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-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

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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALDH1A1 482/4885HPGD 1602/4885MEN1 2795/4885

“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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