SCHEMBL18180490

SCHEMBL18180490

CCNC(CCCCNC)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.43
▸ FOLH1 Q04609 5/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.34
▸ KDM4A O75164 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL18180482 1.00 KISS1R (0.43) KISS1RFOLH1EPHX1SIRT6SIRT1
SCHEMBL13271777 0.87 KISS1R (0.42) KISS1RFOLH1EPHX1SIRT6SIRT1
SCHEMBL26743887 0.87 KISS1R (0.35) KISS1RFOLH1EPHX1SIRT6SIRT1
SCHEMBL15981311 0.87 KISS1R (0.41) KISS1RFOLH1SIRT6SIRT1MMP3
SCHEMBL27021702 0.86 KISS1R (0.39) KISS1R
SCHEMBL19293337 0.86 EPHX1 (0.47) KISS1REPHX1SIRT6SIRT1
SCHEMBL2628433 0.86 EPHX1 (0.42) KISS1REPHX1SIRT6SIRT1CPB2
SCHEMBL26743889 0.85 FOLH1 (0.43) KISS1RFOLH1EPHX1CPB2KDM4A
SCHEMBL27051308 0.84 ALOX15 (0.41) FOLH1SIRT6SIRT1MMP3MMP9
SCHEMBL26003106 0.84 KISS1R (0.35) KISS1RFOLH1EPHX1SIRT6SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
EP-3210998-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-08-30 — — EP disclosed
US-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS SEATTLE GENETICS, INC. (US) 2016-10-27 — — 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-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS EGFR, HDGF, CD47 KISS1R 1204/4885FOLH1 323/4885EPHX1 1486/4885

“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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