SCHEMBL8243153

SCHEMBL8243153

CCOC(=O)CC1(CCBr)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TRPA1 O75762 1/20 0.47
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 3/20 0.32
ELANE P08246 1/20 0.32
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
PRKCA P17252 2/20 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
SCHEMBL30828827 0.85 ALDH1A1 (0.50) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL798209 0.83 GAA (0.41) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL773587 0.83 GAA (0.41) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL27708516 0.81 TP53 (0.36) GAAMGAMSIMGAM2HSD17B10
SCHEMBL7515086 0.80 GAA (0.46) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL1660371 0.79 GAA (0.44) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL4603085 0.77 GAA (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL3903468 0.77 GAA (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL18573883 0.77 CYP1A2 (0.44) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL16753659 0.77 GAA (0.48) ALDH1A1TRPA1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 US disclosed
WO-2007045367-A1 CYCLOPROPYLACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-04-26 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-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof PCCA, PPP2CA, HMGCR ALDH1A1 524/4885TRPA1 4224/4885GAA 117/4885

“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.