SCHEMBL14075083

SCHEMBL14075083

C=NOCCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
RECQL P46063 1/20 0.52
PKM P14618 2/20 0.48
THRB P10828 1/20 0.47
HTR1B P28222 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL28780886 0.89 KCNA3 (0.62) KCNA3ALDH1A1TAAR1RECQLHTR1B
Ethylene SCHEMBL29058163 0.83 KCNA3 (0.74) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL27962 0.83 KCNA3 (0.82) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL20432962 0.77 KCNA3 (0.58) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL6054552 0.76 KCNA3 (0.64) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL10338295 0.76 KCNA3 (0.62) KCNA3ALDH1A1TAAR1RECQLHTR1B
Ethylene SCHEMBL28077131 0.75 KCNA3 (0.89) KCNA3ALDH1A1TAAR1RECQLHTR1B
SCHEMBL148066 0.75 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL5067163 0.75 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL10452423 0.75 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 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 (2 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-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 KCNA3 2064/4885ALDH1A1 353/4885TAAR1 4673/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 KCNA3 1647/4885ALDH1A1 2671/4885TAAR1 4835/4885

“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.