SCHEMBL14644875

SCHEMBL14644875

CC(=O)NCCCCC(C)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ PAOX Q6QHF9 3/20 0.50
▸ ADRA1A P35348 1/20 0.48
▸ FOLH1 Q04609 1/20 0.46
▸ TSHR P16473 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ZDHHC7 Q9NXF8 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL21041793 1.00 KDM4E (0.60) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL18588225 0.86 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14930734 0.86 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL24899909 0.84 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL18289820 0.84 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16627562 0.84 KDM4E (0.40) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4762422 0.83 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16593142 0.82 MEN1 (0.63) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL24899917 0.82 KDM4E (0.59) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12153331 0.82 CA1 (0.48) ALDH1A1CA1

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
US-8907053-B2 Immunosuppression modulating compounds AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-12-09 — — US disclosed
US-8357375-B2 Process for the preparation and use of a bivalent vaccine against morphine-heroine addiction INSTITUTO NACIONAL DE PSIQUIATRIA RAMON DE LA FUENTE MUNIZ (MX) 2013-01-22 — — US disclosed
US-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2011-12-29 — — 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-20110318373-A1 IMMUNOSUPPRESSION MODULATING COMPOUNDS CD274, PDCD1, PDCD1LG2 KDM4E 2955/4885MAPK1 74/4885HIF1A 383/4885

“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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