SCHEMBL10325237

SCHEMBL10325237

C=CCNC(=O)OC(O)CCC=C(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
CD81 P60033 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2059972 0.80 TSHR (0.33) FAAHALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL2144011 0.75 CYP2D6 (0.34) ALDH1A1CYP2D6CYP2C19SMN1; SMN2MAPT
SCHEMBL10325236 0.73 TSHR (0.38) FAAHALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL10325251 0.72 THRB (0.37) ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL11341491 0.72 CYP2D6 (0.41) ALDH1A1CYP2D6CYP2C19CD81
SCHEMBL8928163 0.70 SMN1; SMN2 (0.41) FAAHALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL1282758 0.68 SMN1; SMN2 (0.42) FAAHALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL1401881 0.68 CD81 (0.41) ALDH1A1CYP2D6CYP2C19TSHRMAPT
SCHEMBL1489811 0.67 POLB (0.39) ALDH1A1CYP2D6CYP2C19SMN1; SMN2CD81
SCHEMBL9680823 0.67 TSHR (0.41) FAAHALDH1A1TSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238661-A1 Processes for the Synthesis of Compounds from Cyclic Carbonates COGNIS IP MANAGEMENT GMBH (DE) 2012-09-20 US disclosed
WO-2012095293-A2 PROCESS FOR THE SYNTHESIS OF COMPOUNDS FROM CYCLIC CARBONATES COGNIS IP MANAGEMENT GMBH (DE) 2012-07-19 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-20120238661-A1 Processes for the Synthesis of Compounds from Cyclic Carbonates GK, CRYZ, ELOC FAAH 1432/4885ALDH1A1 3734/4885CYP2D6 3718/4885

“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.