SCHEMBL278311

SCHEMBL278311

CCCOc1cc(OCCC)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
ACACB O00763 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
MEN1 O00255 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL91974 0.83 LTA4H (0.48) MAPTSMN1; SMN2LTA4HPLA2G2ALMNA
SCHEMBL278323 0.82 NQO1 (0.46) SMN1; SMN2LTA4HPOLBKMT2AMEN1
SCHEMBL12733585 0.81 F2R (0.36) MAPTLMNAPOLBHTTL3MBTL1
SCHEMBL17046409 0.80 MAPT (0.37) MAPTSMN1; SMN2LTA4HLMNAPOLB
SCHEMBL10211503 0.80 L3MBTL1 (0.57) MAPTSMN1; SMN2LMNAPOLBHTT
SCHEMBL271059 0.78 KDM4E (0.56) MAPTSMN1; SMN2LTA4HLMNAPOLB
SCHEMBL16952887 0.77 CNR1 (0.39) LTA4HPLA2G2ALMNAPOLBHTT
SCHEMBL25468623 0.77 NQO1 (0.46) MAPTSMN1; SMN2LTA4HLMNAPOLB
SCHEMBL2004550 0.77 LTA4H (0.55) LTA4HPLA2G2AKMT2ACNR1CNR2
SCHEMBL2678696 0.77 GABRA1 (0.38) MAPTSMN1; SMN2LMNAPOLBHTT

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
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 MAPT 3373/4885SMN1; SMN2 4780/4885LTA4H 752/4885

“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.