SCHEMBL2114921

SCHEMBL2114921

O=C(OCC(Cl)(Cl)Cl)n1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ TFPI2 P48307 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 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
SCHEMBL30109103 0.81 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL600415 0.81 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL28194858 0.79 GABRA1 (0.32) NOTUMTSHRRAB9AL3MBTL1HTR3E
Hydrochloric Acid SCHEMBL7492690 0.78 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1HTR3E
Hydrochloric Acid SCHEMBL7492685 0.78 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL18990269 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL18990344 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL7169526 0.77 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL7162130 0.77 L3MBTL1 (0.53) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL28587036 0.77 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B NOTUM 4008/4885TSHR 534/4885RAB9A 1225/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B NOTUM 4008/4885TSHR 534/4885RAB9A 1225/4885

“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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