SCHEMBL521457

SCHEMBL521457

CC(C)(C)C1CCC(N)CC1.CC(C)(C)C1CCC(N)CC1.CC(C)(C)C1CCC(N)CC1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
GLA P06280 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
EPHX2 P34913 1/20 0.35
LIPA P38571 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
CYP19A1 P11511 1/20 0.31
USP2 O75604 1/20 0.31
CDC25B P30305 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL55100 0.83 EPHX1 (0.35) EPHX1GLAEPHX2LIPAAPOBEC3A
SCHEMBL1765188 0.83 EPHX1 (0.35) EPHX1GLAEPHX2LIPAAPOBEC3A
SCHEMBL3108061 0.83 EPHX1 (0.35) EPHX1GLAEPHX2LIPAAPOBEC3A
Hydrochloric Acid SCHEMBL1241009 0.81 EPHX1 (0.34) EPHX1LIPAAPOBEC3AAPOBEC3GHTT
Hydrochloric Acid SCHEMBL1241006 0.81 EPHX1 (0.34) EPHX1LIPAAPOBEC3AAPOBEC3GHTT
SCHEMBL3726233 0.81
SCHEMBL521387 0.75 SMYD3 (0.38) EPHX1SMYD3KDM4EALDH1A1
SCHEMBL28461608 0.75 EPHX1 (0.31) EPHX1
SCHEMBL8695427 0.75 EPHX1 (0.35) EPHX1APOBEC3AAPOBEC3GHTTKDM4E
Cadaverine Tartrate SCHEMBL2184517 0.74 TSHR (0.39) EPHX1GLAEPHX2LIPAAPOBEC3A

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
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-9023921-B2 Method for inhibiting crystal growth rate of amide compound and method for producing molded article of polyolefin-based resin NEW JAPAN CHEMICAL CO., LTD. (JP) 2015-05-05 US disclosed
EP-2431415-A1 METHOD FOR CONTROLLING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN New Japan Chemical Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-09 US disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 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-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN MNAT1, RFT1, RTF1 EPHX1 3674/4885GLA 2975/4885SMYD3 3330/4885

“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.