SCHEMBL4128458

SCHEMBL4128458

CC(C(=O)O)c1cccc(OCCBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
PTGS2 P35354 3/20 0.49
MAPT P10636 2/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
RECQL P46063 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
PMP22 Q01453 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6513465 0.93 PTGS1 (0.60) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6288738 0.88 PTGS1 (0.65) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3673447 0.87 PTGS1 (0.63) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL27678738 0.85 PTGS1 (0.61) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3668050 0.85 PTGS1 (0.61) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8784715 0.85 PTGS1 (0.61) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3674440 0.83 AKR1C3 (0.70) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL28133951 0.82 PTGS1 (0.65) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL5725601 0.81 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL4740646 0.81 PTGS1 (0.63) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO LTD 2007-07-19 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-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient INSR, NR1H2, NR1H3 PTGS1 203/4885SMN1; SMN2 4152/4885KDM4E 2453/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 PTGS1 454/4885SMN1; SMN2 1327/4885KDM4E 2809/4885

“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.