SCHEMBL336240

SCHEMBL336240

CC(C)OC(=O)C=Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
CA12 O43570 1/20 0.51
AKR1B10 O60218 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
AKR1B1 P15121 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAOB P27338 2/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFE2L2 Q16236 3/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 4/20 0.46
RECQL P46063 2/20 0.46
NPC1 O15118 2/20 0.45
XPO1 O14980 1/20 0.43

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
SCHEMBL336239 1.00 MMP1 (0.52) MMP1CA12AKR1B10CA1CA2
SCHEMBL11827286 0.82 MAPT (0.59) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL21954717 0.82 CA12 (0.53) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL28642609 0.82 CA12 (0.53) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL11827282 0.82 MAPT (0.59) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL149579 0.81 MAOB (0.59) MMP1MAOBRAB9ASMN1; SMN2NFE2L2
SCHEMBL149581 0.81 MAOB (0.59) MMP1MAOBRAB9ASMN1; SMN2NFE2L2
SCHEMBL29900779 0.81 MAOB (0.59) MMP1MAOBRAB9ASMN1; SMN2NFE2L2
SCHEMBL334971 0.81 MAOB (0.60) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL19244440 0.79 AR (0.54) CA12AKR1B10CA1CA2AKR1B1

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 MMP1 2153/4885CA12 2558/4885AKR1B10 3380/4885

“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.