SCHEMBL7518047

SCHEMBL7518047

CC(COc1c([N+](=O)[O-])ccc(F)c1F)O[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
SRD5A2 P31213 1/20 0.32
HSPB1 P04792 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VCAM1 P19320 1/20 0.31
MAPT P10636 3/20 0.30
PIN1 Q13526 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
MYC P01106 1/20 0.30
MAX P61244 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL7031043 1.00 TXNRD1 (0.33) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL10434023 0.85 ATM (0.35) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL10434021 0.85 ATM (0.35) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL2923101 0.81 LMNA (0.39) ATMTDP1ALDH1A1HIF1ASRD5A2
SCHEMBL8979401 0.81 LMNA (0.39) ATMTDP1ALDH1A1HIF1ASRD5A2
SCHEMBL1496810 0.81 LMNA (0.39) ATMTDP1ALDH1A1HIF1ASRD5A2
SCHEMBL10433857 0.81 VCAM1 (0.35) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL10433856 0.81 VCAM1 (0.35) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL10434005 0.81 VCAM1 (0.35) TXNRD1ATMTDP1ALDH1A1HIF1A
SCHEMBL7031666 0.80 ATM (0.33) TXNRD1ATMTDP1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1438981-A Process for preparing R-1- (aryloxy) propan-2-ol RHODIA CHIREX INC (US) 2003-08-27 CN disclosed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US disclosed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US disclosed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US disclosed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US disclosed
WO-2001081286-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL RHODIA/CHIREX, INC. (US) 2001-11-01 WO 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-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol TOP1, POLN, RIF1 TXNRD1 1526/4885ATM 3082/4885TDP1 1112/4885

“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.