SCHEMBL13580943

SCHEMBL13580943

CC(C)(C)c1ccc(Oc2ccc(Br)cc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ WDR5 P61964 1/20 0.43
▸ ALOX15 P16050 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ PTPN2 P17706 1/20 0.39

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
SCHEMBL12733501 0.90 ALDH1A1 (0.47) SLC6A4ALDH1A1HPGDMAPTNPC1
SCHEMBL13580946 0.87 ALOX15 (0.47) SLC6A4ALDH1A1HPGDMAPTNPC1
SCHEMBL7179614 0.84 ALOX15 (0.50) ALDH1A1HPGDMAPTMAPK1ALOX15
SCHEMBL12732775 0.80 CYP1A2 (0.49) ALDH1A1HPGDMAPTWDR5ALOX15
SCHEMBL12733465 0.80 ALDH1A1 (0.50) SLC6A4ALDH1A1HPGDMAPTNPC1
SCHEMBL12732630 0.79 ALDH1A1 (0.48) SLC6A4ALDH1A1HPGDMAPTNPC1
SCHEMBL12732639 0.79 RAB9A (0.49) ALDH1A1HPGDMAPTMAPK1RAB9A
SCHEMBL12732809 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL7176771 0.78 TTR (0.49) SLC6A4ALDH1A1HPGDMAPTALOX15
SCHEMBL12732734 0.77 L3MBTL1 (0.48) SLC6A4ALDH1A1HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 SLC6A4 4807/4885ALDH1A1 1168/4885HPGD 577/4885

“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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