SCHEMBL20288232

SCHEMBL20288232

CCC(C)(C)OCc1cccc(NC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.36
MLNR O43193 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CSNK2A2 P19784 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 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
SCHEMBL19240341 0.87 KDM4E (0.40) KDM4ELMNAMLNRSMN1; SMN2ALDH1A1
SCHEMBL19251036 0.79 KDM4E (0.42) KDM4ELMNAMLNRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6602265 0.76 SMN1; SMN2 (0.51) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL19251331 0.75 KDM4E (0.40) KDM4ELMNAMLNRSMN1; SMN2ALDH1A1
SCHEMBL24506828 0.71 SMN1; SMN2 (0.57) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL21257469 0.71 SMN1; SMN2 (0.61) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL18901166 0.71 NOS1 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTROCK2
SCHEMBL15152726 0.70 MLNR (0.50) KDM4ELMNAMLNRSMN1; SMN2ALDH1A1
SCHEMBL15152728 0.70 MLNR (0.50) KDM4ELMNAMLNRSMN1; SMN2ALDH1A1
SCHEMBL21257475 0.70 SMN1; SMN2 (0.63) KDM4ELMNASMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 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-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KDM4E 4503/4885LMNA 4075/4885MLNR 3565/4885

“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.