SCHEMBL8420441

SCHEMBL8420441

C=CC[C@H](C(=O)OC)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
CA14 Q9ULX7 3/20 0.36
CA12 O43570 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL2336327 1.00 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8024204 0.88 MEN1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL29012636 0.85 CA1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8422179 0.84 TSHR (0.39) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL3355256 0.84 TSHR (0.39) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8418425 0.84 TSHR (0.39) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8090761 0.82 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2TSHRCA14
SCHEMBL11336105 0.82 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4778798 0.81 TSHR (0.36) KMT2AMEN1ALDH1A1TSHRMMP1
SCHEMBL11134509 0.81 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
EP-2189442-A1 Process and intermediates for the preparation of aliskiren Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-05-26 EP 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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 KMT2A 4471/4885MEN1 289/4885SMN1; SMN2 2689/4885

“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.