SCHEMBL3073559

SCHEMBL3073559

ON=C(OCC(O)CN1CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP2D6 P10635 2/20 0.58
HIF1A Q16665 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ABCB1 P08183 7/20 0.55
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACE2 Q9BYF1 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7226300 0.99 CYP2D6 (0.57) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL9329218 0.99 CYP2D6 (0.57) TSHRCYP2D6HIF1AKDM4EABCB1
Bromide SCHEMBL9327712 0.97 CYP2D6 (0.56) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL9327628 0.84 CYP2D6 (0.43) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL9329860 0.78 DRD4 (0.52) CYP2D6ABCB1MAPK1ATMRAB9A
SCHEMBL5698930 0.75 TSHR (0.57) TSHRCYP2D6HIF1AKDM4EABCB1
SCHEMBL6009203 0.75 HSF1 (0.65) TSHRCYP2D6HIF1AKDM4EABCB1
SCHEMBL6009202 0.75 HSF1 (0.65) TSHRCYP2D6HIF1AKDM4EABCB1
SCHEMBL4580390 0.74 CYP2D6 (1.00) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL3076169 0.74 HSF1 (0.64) TSHRCYP2D6HIF1AKDM4EABCB1

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 5 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
US-20040067940-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof BIOREX RESEARCH & DEVELOPMENT CO. 2004-04-08 US disclosed
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof BIOREX RESEARCH & DEVELOPMENT CO. 2004-01-29 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 (3 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 TSHR 3474/4885CYP2D6 525/4885HIF1A 1271/4885
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A TSHR 3511/4885CYP2D6 334/4885HIF1A 1010/4885
US-20040067940-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A TSHR 3511/4885CYP2D6 334/4885HIF1A 1010/4885

“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.