SCHEMBL3495080

SCHEMBL3495080

COC(=O)c1cc(OC)c(OC)c(-n2c(C)cc(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
TUBB4A P04350 8/20 0.41
TUBB P07437 8/20 0.41
TUBA3C P0DPH7 8/20 0.41
TUBA1B P68363 8/20 0.41
TUBA4A P68366 8/20 0.41
TUBB4B P68371 8/20 0.41
TUBB3 Q13509 8/20 0.41
TUBB2A Q13885 8/20 0.41
TUBB8 Q3ZCM7 8/20 0.41
TUBA3E Q6PEY2 8/20 0.41
TUBA1A Q71U36 8/20 0.41
TUBA1C Q9BQE3 8/20 0.41
TUBB6 Q9BUF5 8/20 0.41
TUBB2B Q9BVA1 8/20 0.41
TUBB1 Q9H4B7 8/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
MYC P01106 1/20 0.41

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
SCHEMBL4985664 0.87 PDE4B (0.43) ALDH1A1HPGDMAPK1L3MBTL1KDM4E
SCHEMBL3494052 0.83 NOTUM (0.55) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28745134 0.78 ALDH1A1 (0.55) NOTUMALDH1A1HPGDMYCTDP1
SCHEMBL3494831 0.77 KMT2A (0.48) NOTUMALDH1A1TDP1
SCHEMBL3495038 0.77 PLA2G2A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3494283 0.76 MAPT (0.54) NOTUMALDH1A1HPGDMAPK1MYC
SCHEMBL3493425 0.74 MAPT (0.53) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3491793 0.73 NOTUM (0.68) NOTUMALDH1A1HPGDMYC
SCHEMBL3494596 0.72 NOTUM (0.71) NOTUMALDH1A1HPGDTHRBKDM4E
Methyl Syringate SCHEMBL5152857 0.71 KDM4E (0.51) ALDH1A1HPGDMAPK1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 NOTUM 1289/4885TUBB4A 4695/4885TUBB 4606/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR NOTUM 4180/4885TUBB4A 3467/4885TUBB 3367/4885

“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.