SCHEMBL21451925

SCHEMBL21451925

N[C@]1(c2cccc(OC(F)(F)F)c2F)CCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.37
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
SLC6A9 P48067 1/20 0.32
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
HDAC4 P56524 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A4 P31645 2/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL21452197 1.00 MPL (0.37) MPLGRIN1GRIN2AGRIA1CACNG8
SCHEMBL21452196 1.00 MPL (0.37) MPLGRIN1GRIN2AGRIA1CACNG8
SCHEMBL21452476 0.80 PDE7A (0.42) MPLGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL21452563 0.80 MPL (0.33) MPLGRIN1GRIN2AGRIA1CACNG8
SCHEMBL21452495 0.79 HDAC4 (0.50) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL30207561 0.79 HDAC4 (0.50) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29077176 0.79 HDAC4 (0.33) MPLGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL25382353 0.78 EPHX2 (0.34) MPLSLC6A9HCRTR1HCRTR2EPHX2
SCHEMBL21436263 0.78 SLC6A9 (0.34) MPLSLC6A9DDB1CRBNHCRTR1
SCHEMBL21436198 0.78 SLC6A9 (0.34) MPLSLC6A9DDB1CRBNHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT MPL 2975/4885GRIN1 1281/4885GRIN2A 3368/4885

“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.