SCHEMBL3719558

SCHEMBL3719558

CNCC(O)CNCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.38
KISS1R Q969F8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CARM1 Q86X55 2/20 0.32
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL3753850 0.87 TSHR (0.42) TSHRSMN1; SMN2KDM4EALDH1A1MEN1
Diethanolamine SCHEMBL20358122 0.84 KDM4E (0.41) TSHRSMN1; SMN2KDM4EKISS1RALDH1A1
SCHEMBL3030823 0.83 KISS1R (0.35) SMN1; SMN2KDM4EKISS1RALDH1A1CARM1
SCHEMBL3030406 0.82 KDM4E (0.40) SMN1; SMN2KDM4EKISS1RALDH1A1CARM1
SCHEMBL13492697 0.81 ANPEP (0.41) TSHRSMN1; SMN2KDM4EKISS1RCARM1
SCHEMBL15641242 0.79 SMN1; SMN2 (0.36) TSHRSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL15641252 0.79 TSHR (0.36) TSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL3016252 0.79 KISS1R (0.37) KDM4EKISS1RALDH1A1CARM1ALOX15
SCHEMBL2246543 0.79
SCHEMBL1290407 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100303734-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
EP-2231200-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-09-29 EP disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 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-20100303734-A1 CONTRAST AGENTS C1R, CNKSR1, C5 TSHR 6/4885SMN1; SMN2 4013/4885KDM4E 4580/4885

“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.