SCHEMBL1890992

SCHEMBL1890992

CC(F)CCC(C)(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ODC1 P11926 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1009938 0.84 ACACB (0.47) ACACBACACAODC1KDM4ELMNA
SCHEMBL30017124 0.76 ACACB (0.38) ACACBACACATSHRALDH1A1CYP2D6
SCHEMBL7388370 0.76 ODC1 (0.38) ACACBACACAALDH1A1ODC1CYP2D6
SCHEMBL3749967 0.73 CA2 (0.35) ACACBACACATSHRALDH1A1CYP2D6
SCHEMBL11420379 0.70 HMGCR (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10695323 0.70 BLM (0.35) ACACBACACABLM
SCHEMBL5474459 0.69 ALDH1A1 (0.42) ACACBACACATSHRALDH1A1CYP2D6
SCHEMBL10315785 0.69
SCHEMBL1010543 0.68 ACACB (0.53) ACACBACACAALDH1A1MAPT
SCHEMBL1902516 0.67 ALDH1A1 (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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-20110257434-A1 PERTURBED MEMBRANE-BINDING COMPOUNDS AND METHODS OF USING THE SAME APOSENSE LTD. (IL) 2011-10-20 US disclosed
US-7947253-B2 compounds such as 2-methyl-2(3-fluoropropyl)-malonic Acid that selectively bind to cells undergoing perturbations and alterations of their normal plasma membrane organization, i.e., cells undergoing cell death, apoptotic cells or activated platelets APOSENSE LTD. (IL) 2011-05-24 US disclosed
US-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2010-02-11 US disclosed
EP-2121042-A2 COMPOUNDS AND METHODS FOR DETECTION OF CELLS Aposense Ltd. (IL) 2009-11-25 EP disclosed
WO-2008081447-A2 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2008-07-10 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 (2 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-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS CASP3, BAX, BAD ACACB 328/4885ACACA 393/4885TSHR 4649/4885
US-20110257434-A1 PERTURBED MEMBRANE-BINDING COMPOUNDS AND METHODS OF USING THE SAME ANXA5, SELPLG, ANXA6 ACACB 3279/4885ACACA 3736/4885TSHR 3258/4885

“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.