SCHEMBL21452589

SCHEMBL21452589

OC1CCCCC1c1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
FFAR4 Q5NUL3 2/20 0.35
EPHX2 P34913 2/20 0.33
NOTUM Q6P988 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCN9A Q15858 4/20 0.32
GRIN2B Q13224 2/20 0.32
USP30 Q70CQ3 1/20 0.32
EPHX1 P07099 1/20 0.32
MGLL Q99685 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL5562090 0.79 AR (0.40) AREPHX1
SCHEMBL21452169 0.78 AR (0.46) ARNOTUMGRIN2BEPHX1
SCHEMBL1138501 0.77 AR (0.47) AREPHX2SCN9AGRIN2BEPHX1
SCHEMBL22816996 0.77 EPHX2 (0.38) FFAR4EPHX2NOTUMHDAC3HDAC1
SCHEMBL21452467 0.74 FFAR1 (0.40) ARFFAR4EPHX2EPHX1SLC6A4
SCHEMBL31513755 0.74 AR (0.43) AREPHX2SCN9AGRIN2BEPHX1
SCHEMBL31513808 0.74 AR (0.43) AREPHX2SCN9AGRIN2BEPHX1
SCHEMBL21451935 0.73 AR (0.47) ARNOTUMGRIN2BEPHX1
SCHEMBL21452529 0.72 HCRTR1 (0.38) FFAR4EPHX2NOTUMSCN9A
SCHEMBL1921486 0.70 NOTUM (0.47) FFAR4EPHX2NOTUMHDAC3HDAC1

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 AR 1775/4885FFAR4 824/4885EPHX2 1160/4885

“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.