SCHEMBL1346573

SCHEMBL1346573

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 5/20 0.51
AKR1C2 P52895 4/20 0.51
GPR88 Q9GZN0 6/20 0.51
PTGS2 P35354 9/20 0.50
PTGS1 P23219 6/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
SLC22A6 Q4U2R8 2/20 0.49
TSHR P16473 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL1532485 0.94 POLB (0.53) POLBTDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL9629526 0.88 MEN1 (0.50) POLBTDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL14599721 0.88 GPR88 (0.59) POLBAKR1C3AKR1C2GPR88PTGS2
SCHEMBL11595380 0.87 POLB (0.51) POLBTDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL9861070 0.85 LMNA (0.62) POLBTDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL7403967 0.85 GPR88 (0.59) L3MBTL1AKR1C3AKR1C2GPR88PTGS2
SCHEMBL8403335 0.85 GPR88 (0.59) L3MBTL1AKR1C3AKR1C2GPR88PTGS2
SCHEMBL14599980 0.84 LMNA (0.64) POLBGPR88LMNATSHRRARB
SCHEMBL11596837 0.84 PPARA (0.50) POLBTDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL6414796 0.84 LMNA (0.64) POLBGPR88LMNATSHRRARB

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-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
US-5179124-A Nonsteroid antiinflammatory agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-01-12 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-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 POLB 1672/4885TDP1 2030/4885L3MBTL1 932/4885

“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.