SCHEMBL2161013

SCHEMBL2161013

CC(C)(C)C(O)C(CCCCOc1ccccc1F)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2160987 0.90 MEN1 (0.47) MAPK1MEN1KMT2ATDP1POLB
SCHEMBL12336846 0.90 MEN1 (0.47) MAPK1MEN1KMT2ATDP1POLB
SCHEMBL3700015 0.87 MEN1 (0.49) MAPK1MEN1KMT2ATDP1POLB
SCHEMBL1923135 0.87 MEN1 (0.56) MAPK1MEN1KMT2ATDP1POLB
SCHEMBL10915818 0.84 MEN1 (0.51) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL3230953 0.84 MAPK1 (0.51) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3233026 0.84 MAPK1 (0.51) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL2159856 0.84 MEN1 (0.48) MAPK1MEN1KMT2ATDP1POLB
SCHEMBL3240660 0.82 MAPK1 (0.49) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3699829 0.81 MEN1 (0.47) MEN1KMT2ATDP1POLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110583-A2 FUNGICIDAL MIXTURES COMPRISING TRIAZOLE DERIVATIVES BASF SE (DE) 2011-09-15 WO disclosed
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-07-28 US disclosed
EP-2346838-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040718-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 WO disclosed
EP-0271790-B1 PROCESS FOR THE PREPARATION OF PHENOXY-SUBSTITUTED ESTERS AND THEIR INTERMEDIATES BASF Aktiengesellschaft (DE) 1992-07-15 EP disclosed
US-5008446-A Preparation of phenoxy-substituted esters and intermediates therefor BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
EP-0236884-B1 METHOD FOR THE PREPARATION OF PHENOXYALKANOLTRIAZOLE COMPOUNDS, AND INTERMEDIATES THEREFOR BASF Aktiengesellschaft (DE) 1990-12-27 EP disclosed
US-4870205-A Preparation of phenoxy-substituted esters and intermediates therefor BASF AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
EP-0271790-A2 Process for the preparation of phenoxy-substituted esters and their intermediates BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed
EP-0236884-A1 Method for the preparation of phenoxyalkanoltriazole compounds, and intermediates therefor BASF Aktiengesellschaft (DE) 1987-09-16 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 (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-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them OAT, ABAT, TYR MAPK1 1464/4885MEN1 1942/4885KMT2A 2752/4885

“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.