SCHEMBL1692324

SCHEMBL1692324

C=C(C)C1=NCCO1.C=Cc1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRIN2D O15399 2/20 0.32
▸ GRIN3B O60391 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32

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
Styrene SCHEMBL186000 0.79 ALDH1A1 (0.42) ALDH1A1HDAC8HDAC6TSHR
Methyl Alcohol SCHEMBL1324478 0.74 MTNR1A (0.47) MTNR1AMTNR1BKDM4EACHEALDH1A1
SCHEMBL7170772 0.74 KDM4E (0.46) MTNR1AMTNR1BKDM4EACHENPC1
SCHEMBL5200150 0.74 PTK2B (0.44) MTNR1AMTNR1BKDM4EACHEALDH1A1
Hydrochloric Acid SCHEMBL8535633 0.73 — —
SCHEMBL6863260 0.72 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1SIRT2
SCHEMBL31610342 0.72 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1SIRT2
SCHEMBL29357296 0.72 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1SIRT2
SCHEMBL14912 0.72 SIRT2 (0.50) MTNR1AMTNR1BACHEALDH1A1SIRT2
Styrene SCHEMBL16739396 0.72 HDAC3 (0.36) LMNAHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280545-A1 PREPARATION OF FUNCTIONALISED CARBON NANOMATERIALS IMPERIAL INNOVATIONS LIMITED (GB) 2016-09-29 — — US disclosed
EP-3068726-A2 PREPARATION OF FUNCTIONALISED MATERIALS Imperial Innovations Limited (GB) 2016-09-21 — — EP disclosed
US-20110245384-A1 Process for the production of a functionalised carbon nanomaterial IMPERIAL INNOVATIONS LIMITED (UK) 2011-10-06 — — US disclosed
EP-2313342-A1 A PROCESS FOR THE PRODUCTION OF A FUNCTIONALISED CARBON NANOMATERIAL Imperial Innovations Limited (GB) 2011-04-27 — — EP disclosed
WO-2010001123-A1 A PROCESS FOR THE PRODUCTION OF A FUNCTIONALISED CARBON NANOMATERIAL IMPERIAL INNOVATIONS LIMITED (GB) 2010-01-07 — — 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-20110245384-A1 Process for the production of a functionalised carbon nanomaterial FUT4, CD63, CA4 MTNR1A 4264/4885MTNR1B 4475/4885KDM4E 3360/4885

“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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