SCHEMBL2967568

SCHEMBL2967568

CC(C(=O)O)(C(=O)O)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PDE2A O00408 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL22636306 0.84 CYP1A2 (0.43) CA1CA2CA5ACA9HDAC3
SCHEMBL3136256 0.83 KMT2A (0.41) CA1CA2CA5ACA9HDAC3
SCHEMBL1828511 0.83 PDK1 (0.41) CA1CA2CA5ACA9HDAC3
SCHEMBL31619483 0.80 CA1 (0.46) CA1CA2CA5ACA9HDAC3
SCHEMBL5167215 0.78 ALDH1A1 (0.48) CA2KMT2AMAPTALDH1A1TSHR
SCHEMBL5199900 0.77 CYP2C9 (0.50) CA1CA2CA5ACA9PDK1
SCHEMBL3137094 0.76 SMN1; SMN2 (0.41) CYP1A2SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL13769782 0.76 PPARA (0.39) CA1CA2CA5ACA9HDAC3
SCHEMBL4640551 0.75 CA1 (0.48) CA1CA2CA5ACA9PDK1
SCHEMBL7768184 0.73 KMT2A (0.53) CA1CA2CA5ACA9HDAC3

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CA1 3194/4885CA2 3440/4885CA5A 3731/4885

“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.