SCHEMBL3066709

SCHEMBL3066709

CC(=O)OC(CONC(=O)NC1CCCCC1)CN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 8/20 0.42
EPHX2 P34913 7/20 0.42
ABCB1 P08183 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
Hydrochloric Acid SCHEMBL7484668 0.99 ALDH1A1 (0.44) ALDH1A1MAPK1EPHX1EPHX2ABCB1
SCHEMBL3069255 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1EPHX1EPHX2ABCB1
Hydrochloric Acid SCHEMBL8791052 0.79 ABCB1 (0.44) ALDH1A1ABCB1L3MBTL1HPGDCYP3A4
SCHEMBL7525072 0.79 ABCB1 (0.38) ALDH1A1MAPK1ABCB1L3MBTL1CYP3A4
SCHEMBL8609012 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1EPHX1EPHX2ABCB1
SCHEMBL5214576 0.74 ABCB1 (0.44) ALDH1A1ABCB1HPGDCYP3A4
SCHEMBL5144569 0.72 MAPT (0.44) ALDH1A1ABCB1HPGDCYP3A4
Hydrochloric Acid SCHEMBL9329853 0.71 ABCB1 (0.53) ALDH1A1ABCB1RAB9ASMN1; SMN2CYP3A4
SCHEMBL5144884 0.71 ABCB1 (0.44) ALDH1A1ABCB1L3MBTL1HPGDCYP3A4
SCHEMBL10555746 0.71 SLC18A3 (0.56) ALDH1A1ABCB1L3MBTL1HPGDCYP3A4

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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF CYTRX CORPORATION (US) 2010-10-21 US disclosed
US-7745465-B2 Method of enhancing cellular production of molecular chaperone, hydroxylamine derivatives useful for enhancing the chaperone production and the preparation thereof CYTRX CORPORATION (US) 2010-06-29 US disclosed
US-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF HSPE1, HSF1, HSP90AB2P ALDH1A1 533/4885MAPK1 3049/4885EPHX1 2282/4885

“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.