SCHEMBL16803939

SCHEMBL16803939

CCCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2-c2nnn(CCOCCOCCOCCC)c2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMKLR1 Q99788 2/20 0.47
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL26751803 0.93 CMKLR1 (0.41) CMKLR1MTNR1AMTNR1BNAMPTLMNA
SCHEMBL18232117 0.91 CMKLR1 (0.45) CMKLR1MTNR1AMTNR1BNAMPTLMNA
SCHEMBL26346652 0.90 CMKLR1 (0.43) CMKLR1MTNR1AMTNR1BLMNATP53
SCHEMBL18866868 0.88 CMKLR1 (0.43) CMKLR1MTNR1AMTNR1BNAMPTLMNA
SCHEMBL26346672 0.86 CMKLR1 (0.42) CMKLR1NAMPTLMNATP53KDM4E
SCHEMBL19347188 0.86 CMKLR1 (0.39) CMKLR1MTNR1AMTNR1BTP53KDM4E
SCHEMBL18710659 0.85 CMKLR1 (0.39) CMKLR1MTNR1AMTNR1BNAMPTLMNA
SCHEMBL25559432 0.85 CMKLR1 (0.45) CMKLR1LMNATP53KDM4EALDH1A1
SCHEMBL26249040 0.84 CMKLR1 (0.40) CMKLR1MTNR1AMTNR1BNAMPTLMNA
SCHEMBL25812374 0.84 CMKLR1 (0.44) CMKLR1LMNATP53MAPTHSD17B10

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-9427478-B2 Enzymatic conjugation of polypeptides INNATE PHARMA (FR) 2016-08-30 — — US disclosed
US-20150165064-A1 ENZYMATIC CONJUGATION OF POLYPEPTIDES ARARIS BIOTECH LTD (CH) 2015-06-18 — — 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-20150165064-A1 ENZYMATIC CONJUGATION OF POLYPEPTIDES DNPEP, ENPEP, PEPD CMKLR1 3613/4885MTNR1A 1622/4885MTNR1B 1701/4885

“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.

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