SCHEMBL16683593

SCHEMBL16683593

OCCNBc1ccc(Cl)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSPD1 P10809 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL16683598 0.80 MAPT (0.50) MAPTALDH1A1POLBCYP2C9
SCHEMBL20459459 0.78 MAPT (0.46) CYP1A2MAPTLMNAKMT2AMEN1
SCHEMBL16683594 0.76 KLF10 (0.39) CYP1A2CYP2D6MAPTKMT2AMEN1
SCHEMBL16683590 0.75 LMNA (0.45) MAPTLMNAKMT2AHTTSMN1; SMN2
SCHEMBL16683597 0.73 ALDH1A1 (0.36) CYP2D6MAPTLMNAKMT2AMEN1
SCHEMBL15933225 0.73 MAPT (0.41) MAPTLMNAKMT2AMEN1HPGD
SCHEMBL22942635 0.73 MAPT (0.41) MAPTLMNAKMT2AMEN1HPGD
SCHEMBL16683595 0.67 EGFR (0.43) MAPTKMT2AMEN1HPGDHIF1A
SCHEMBL29493203 0.67 IDO1 (0.50) CYP1A2MAPTLMNAKMT2AMEN1
SCHEMBL1154758 0.67 IDO1 (0.50) CYP1A2MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 — — US disclosed
US-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 — — US disclosed
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-08-11 — — US disclosed
US-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-07-21 — — US disclosed
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-30 — — US disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 — — US disclosed
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-04-30 — — 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 (5 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-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP1A2 1189/4885CYP2D6 1080/4885MAPT 1768/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP1A2 1189/4885CYP2D6 1080/4885MAPT 1768/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP1A2 1189/4885CYP2D6 1080/4885MAPT 1768/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP1A2 1189/4885CYP2D6 1080/4885MAPT 1768/4885
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP1A2 1189/4885CYP2D6 1080/4885MAPT 1768/4885

“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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