SCHEMBL13928131

SCHEMBL13928131

CO/C(O)=C/c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.43
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MDM2 Q00987 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.38
AKR1C3 P42330 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL60622 0.81 ALDH1A1 (0.46) ALDH1A1RECQLMEN1KMT2AAKR1C3
SCHEMBL19337321 0.77 AKR1C3 (0.49) RELARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15107351 0.72 CXCR1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL8138421 0.72 MAPT (0.50) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL16065669 0.71 MAPT (0.46) CYP2A6TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL28502066 0.71 MAPT (0.46) CYP2A6TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3338993 0.70 CYP2A6 (0.48) RELACYP2A6TDP1RAB9ANPC1
SCHEMBL28984056 0.70 MAPT (0.45) RELACYP2A6TDP1RAB9ANPC1
SCHEMBL10831971 0.69 CYP2A6 (0.46) RELACYP2A6TDP1RAB9ANPC1
SCHEMBL17877589 0.69 NFE2L2 (0.46) RELACYP2A6TDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 RELA 1210/4885CYP2A6 90/4885TDP1 3931/4885

“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.