SCHEMBL6505492

SCHEMBL6505492

CCN(CCC(N)=O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ BCHE P06276 4/20 0.52
▸ FFAR1 O14842 2/20 0.50
▸ PTGES O14684 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ACHE P22303 2/20 0.44
▸ CETP P11597 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DAGLA Q9Y4D2 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL3877833 0.84 BCHE (0.57) BCHEKDM4EACHEMAOB
SCHEMBL6505515 0.81 BCHE (0.60) TSHRHSD17B10BCHEPTGESKDM4E
SCHEMBL6500610 0.79 GAA (0.59) TSHRHSD17B10BCHEFFAR1PTGES
SCHEMBL6501980 0.78 GAA (0.69) TSHRHSD17B10BCHEFFAR1KDM4E
SCHEMBL6515065 0.78 TSHR (0.55) TSHRHSD17B10FFAR1PTGESTDP1
SCHEMBL6499688 0.77 CYP1A2 (0.56) TSHRHSD17B10BCHEFFAR1KDM4E
SCHEMBL6505391 0.77 TSHR (0.52) TSHRHSD17B10BCHEPTGESKDM4E
SCHEMBL6497288 0.75 TSHR (0.53) TSHRHSD17B10BCHEPTGES
SCHEMBL6508701 0.75 KDM4E (0.50) TSHRHSD17B10BCHEKDM4EACHE
SCHEMBL6506029 0.75 LMNA (0.55) TSHRHSD17B10BCHE

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 — — US disclosed
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2005-01-13 — — US disclosed
US-4769374-A Tetrahydroisoquinoline ethyl esters of 1,4-dihydropyridines and antihypertensive compositions POLI INDUSTRIA CHIMICA S.P.A. (IT) 1988-09-06 — — US disclosed
EP-0176053-A1 1,4-Dihydropyridine derivatives and pharmaceutical compositions containing them POLI INDUSTRIA CHIMICA S.p.A. (IT) 1986-04-02 — — EP 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 TSHR 3179/4885HSD17B10 1726/4885BCHE 945/4885
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRB3, ADRB1, ADRA1D TSHR 1816/4885HSD17B10 2220/4885BCHE 1976/4885

“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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