SCHEMBL16683597

SCHEMBL16683597

OCCNBc1cc2ccccc2cc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33

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
SCHEMBL15186180 0.78 CYP2D6 (0.36) ALDH1A1KDM4ECYP2D6SLC6A2SLC6A4
SCHEMBL16683593 0.73 CYP1A2 (0.37) ALDH1A1KDM4EMAPTCASP1CYP2D6
SCHEMBL430273 0.71 PDE4A (0.46) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29583446 0.71 PDE4A (0.46) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL16683594 0.70 KLF10 (0.39) ALDH1A1MAPTCYP2D6GAAHTR1D
SCHEMBL901034 0.67 PDE4A (0.48) ALDH1A1KDM4ECASP1CASP7CYP2D6
SCHEMBL3043085 0.67 PDE4A (0.48) ALDH1A1KDM4ECASP1CASP7CYP2D6
SCHEMBL15033126 0.65 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL29768796 0.64 TRPM4 (0.48) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL1773980 0.64 TRPM4 (0.48) ALDH1A1KDM4EMAPTCASP1CASP7

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 ALDH1A1 3692/4885KDM4E 3418/4885MAPT 1768/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885KDM4E 3418/4885MAPT 1768/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885KDM4E 3418/4885MAPT 1768/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885KDM4E 3418/4885MAPT 1768/4885
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885KDM4E 3418/4885MAPT 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.

Send feedback