SCHEMBL21452447

SCHEMBL21452447

CC(C)(C)OC(=O)NC1(c2ccc(C(F)(F)F)c(F)c2)CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RORC P51449 3/20 0.35
KCNN4 O15554 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL21452251 0.86 TRPA1 (0.36) PDE2ARORCLMNAPOLB
SCHEMBL21452198 0.84 PDE2A (0.41) PDE2AHDAC1HDAC3HDAC2HDAC6
SCHEMBL21452422 0.83 PDE2A (0.42) PDE2ARORC
SCHEMBL21452549 0.83 PDE2A (0.42) PDE2ARORC
SCHEMBL21452178 0.83 PDE2A (0.42) PDE2ARORC
SCHEMBL21452392 0.83 RORC (0.43) HDAC1RORC
SCHEMBL23490933 0.83 LMNA (0.34) PDE2AHDAC1RORCKCNN4LMNA
SCHEMBL21452427 0.82 SLC6A4 (0.42) HDAC1HDAC3HDAC2HDAC6LMNA
SCHEMBL21452112 0.81 CYP2C19 (0.41) HDAC1HDAC3HDAC2HDAC6RORC
SCHEMBL21452533 0.81 SCN9A (0.39) RORCLMNAPOLB

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 PDE2A 4338/4885HDAC1 2504/4885HDAC3 4405/4885

“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.