SCHEMBL4622882

SCHEMBL4622882

COC(=O)C(C)(C)c1ccc(C(=O)CCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
APEX1 P27695 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4B Q07343 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP4A11 Q02928 2/20 0.40
HSD17B3 P37058 1/20 0.39
BRS3 P32247 1/20 0.39

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
SCHEMBL1502354 0.87 ALDH1A1 (0.43) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL1502465 0.87 ALDH1A1 (0.43) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL4686360 0.87 ALDH1A1 (0.43) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL4960271 0.83 KMT2A (0.53) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL12139296 0.83 ALDH1A1 (0.45) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL24171989 0.83 ACHE (0.44) TDP1LMNAMAPTCNR1CNR2
SCHEMBL31121938 0.83 ACHE (0.44) TDP1LMNAMAPTCNR1CNR2
SCHEMBL28370678 0.80 GSK3B (0.54) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL28698668 0.80 ALDH1A1 (0.47) ALDH1A1APEX1RECQLTDP1LMNA
SCHEMBL24172240 0.78 CYP4A11 (0.57) LMNAHDAC1HDAC8CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237709-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF FEXOFENADINE, PROCESSES FOR THEIR PREPARATION AND FOR THE PREPARATION OF FEXOFENADINE CHEMELECTIVA S.R.L. (IT) 2013-09-12 US disclosed
EP-1307423-B1 PROCESSES FOR THE PRODUCTION OF FEXOFENADINE TEXCONTOR ETS (LI) 2008-03-19 EP disclosed
US-7176318-B2 Processes for the production of fexofenadine TEXCONTOR ESTABLISSEMENT (LI) 2007-02-13 US disclosed
US-20030166682-A1 Processes for the production of fexofenadine TEXCONTOR ETABLISSEMENT (LI) 2003-09-04 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-20130237709-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF FEXOFENADINE, PROCESSES FOR THEIR PREPARATION AND FOR THE PREPARATION OF FEXOFENADINE CYP2F1, CYP4F2, NISCH ALDH1A1 619/4885APEX1 2208/4885RECQL 1613/4885
US-20030166682-A1 Processes for the production of fexofenadine AOC1, COX6C, AOC3 ALDH1A1 78/4885APEX1 3074/4885RECQL 2613/4885

“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.