SCHEMBL3971854

SCHEMBL3971854

O=C1OCCC1Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.36
MAOB P27338 1/20 0.36
GRM5 P41594 1/20 0.36
TRPA1 O75762 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL6903469 0.91 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL13131114 0.84 EPHX2 (0.34) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL877644 0.83 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL694533 0.83 POLB (0.41) SMN1; SMN2KDM4EALDH1A1MEN1HPGD
SCHEMBL4493171 0.83 POLB (0.38) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL10174373 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL4503380 0.83 POLB (0.41) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL13131163 0.83 POLB (0.38) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL4493176 0.83 POLB (0.38) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL13130993 0.82 EPHX2 (0.33) SMN1; SMN2KDM4EALDH1A1TSHRMEN1

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
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 SMN1; SMN2 3950/4885KDM4E 3436/4885ALDH1A1 455/4885

“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.