SCHEMBL2964885

SCHEMBL2964885

CC(C)(C(=O)O)c1ccc(CCCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.54
CYP4A11 Q02928 2/20 0.50
CYP4F2 P78329 1/20 0.50
HRH3 Q9Y5N1 1/20 0.45
CA2 P00918 2/20 0.45
ALDH1A1 P00352 2/20 0.42
SLC13A5 Q86YT5 2/20 0.42
KCNH2 Q12809 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.40
NR1H2 P55055 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESRRG P62508 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
SCHEMBL11439832 0.89 HRH3 (0.49) PPARAHRH3ALDH1A1SLC13A5KCNH2
SCHEMBL992215 0.87 PPARA (0.57) PPARACYP4A11CYP4F2HRH3CA2
SCHEMBL1051632 0.86 ALDH1A1 (0.59) ALDH1A1LMNAHPGDHSD17B10
SCHEMBL28340064 0.86 PPARA (0.56) PPARACYP4A11CYP4F2HRH3CA2
SCHEMBL8587467 0.84 ALDH1A1 (0.58) HRH3ALDH1A1LMNAHPGDHSD17B10
SCHEMBL24171971 0.82 CYP4A11 (0.58) PPARACYP4A11CYP4F2CA2ALDH1A1
SCHEMBL8582205 0.80 CYP4A11 (0.49) PPARACYP4A11CYP4F2CA2ALDH1A1
SCHEMBL6025925 0.80 KCNH2 (0.61) PPARACYP4A11CYP4F2CA2SLC13A5
SCHEMBL55105 0.80 PPARA (0.55) PPARAHRH3SLC13A5
SCHEMBL25541204 0.79 MAPT (0.52) PPARACYP4A11CYP4F2HRH3CA2

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-7858798-B2 metabolite of ebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-28 US claimed
US-20090137813-A1 PROCESS FOR PRODUCTION OF CAREBASTINE ALBANY MOLECULAR RESEARCH, INC. (US) 2009-05-28 US claimed
CN-115427405-B Tricyclic compounds, preparation method and medical application thereof 合肥医工医药股份有限公司 2024-09-24 CN 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-20090137813-A1 PROCESS FOR PRODUCTION OF CAREBASTINE GABRE, GABRB3, GABRB2 PPARA 3660/4885CYP4A11 1460/4885CYP4F2 523/4885

“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.