SCHEMBL13856737

SCHEMBL13856737

CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ KDM4E B2RXH2 7/20 1.00
▸ HSD17B10 Q99714 5/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HPGD P15428 3/20 1.00
▸ TSHR P16473 2/20 1.00
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SHBG P04278 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ DDAH1 O94760 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL9670494 0.74 ALDH1A1 (0.67) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL4378371 0.74 ALDH1A1 (0.58) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13856738 0.73 MAPT (0.85) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5849893 0.73 MAPT (0.78) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5094962 0.72 RAB9A (0.68) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10337354 0.72 ALDH1A1 (0.68) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5329338 0.72 MAPT (0.57) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL17773180 0.72 ALDH1A1 (0.62) MAPTALDH1A1KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL5849632 0.72 MAPT (0.76) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL761148 0.71 CHRM1 (0.71) MAPTALDH1A1KDM4EHSD17B10LMNA

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-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 — — US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 — — 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB MAPT 4415/4885ALDH1A1 3948/4885KDM4E 360/4885

“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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