SCHEMBL9973225

SCHEMBL9973225

O=C1CC[C@@H]([C@H]2CCC(=O)O2)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.39
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PPM1B O75688 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPP1CA P62136 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 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
SCHEMBL16120995 1.00 CA1 (0.55) CA1CA9TSHRCYP1A2LMNA
SCHEMBL6854823 1.00 CA1 (0.55) CA1CA9TSHRCYP1A2LMNA
SCHEMBL7643331 1.00 CA1 (0.55) CA1CA9TSHRCYP1A2LMNA
SCHEMBL6857004 1.00 CA1 (0.55) CA1CA9TSHRCYP1A2LMNA
SCHEMBL5880374 0.89 CA1 (0.46) CA1CA9TSHRCYP1A2LMNA
SCHEMBL77346 0.89 CA1 (0.46) CA1CA9TSHRCYP1A2SMN1; SMN2
SCHEMBL1491997 0.87 CA1 (0.44) CA1CA9TSHRCYP1A2LMNA
SCHEMBL9563062 0.86
SCHEMBL11173078 0.82 CA1 (0.44) CA1CA9TSHRCYP1A2LMNA
SCHEMBL28730837 0.82 CA1 (0.44) CA1CA9TSHRCYP1A2LMNA

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
US-8203005-B2 Manufacturing process for enantiomerically pure 8-aryloctanoic acids as Aliskiren CARBO DESIGN LLC (US) 2012-06-19 US disclosed
US-8203005-B2 Manufacturing process for enantiomerically pure 8-aryloctanoic acids as Aliskiren CARBO DESIGN LLC (US) 2012-06-19 US disclosed
US-20110105767-A1 Manufacturing process for enantiomerically pure 8-Aryloctanoic acids as Aliskiren CarboDesign LLC (US) 2011-05-05 US disclosed
US-20110105767-A1 Manufacturing process for enantiomerically pure 8-Aryloctanoic acids as Aliskiren CarboDesign LLC (US) 2011-05-05 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-20110105767-A1 Manufacturing process for enantiomerically pure 8-Aryloctanoic acids as Aliskiren REN, CYP51A1, CYP2A7 CA1 4316/4885CA9 435/4885TSHR 3268/4885

“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.