SCHEMBL4013957

SCHEMBL4013957

O=Cc1ccc(F)c(C2OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A3 P47895 2/20 0.34
ALDH3A1 P30838 1/20 0.34
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
CYP2A6 P11509 2/20 0.33
PTGER4 P35408 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL510933 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10TDP1
SCHEMBL29955837 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10TDP1
SCHEMBL2979640 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10TDP1
SCHEMBL3823267 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10TDP1
SCHEMBL15716340 0.75 DRD1 (0.44) ALDH1A1KDM4EHSD17B10TDP1ALDH1A3
SCHEMBL11997144 0.73 KDM1A (0.32)
SCHEMBL21962283 0.73 KDM1A (0.35) ALDH1A1KDM4ETDP1
SCHEMBL16433626 0.73 CHRNB2 (0.34) RAB9AKIF11
SCHEMBL1592114 0.73 KDM1A (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26428565 0.72 CHRNB2 (0.43) ALDH1A1KDM4ESMN1; SMN2HSD17B10TDP1

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-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 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-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 ALDH1A1 1869/4885KDM4E 1790/4885SMN1; SMN2 2968/4885

“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.