SCHEMBL21452452

SCHEMBL21452452

CC(C)(C)OC(=O)NC1(c2cccc(C(F)(F)F)c2F)CCCC(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
EPHX2 P34913 1/20 0.37
P2RX7 Q99572 8/20 0.35
HDAC4 P56524 1/20 0.34
SCN9A Q15858 2/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RORC P51449 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
KDM1A O60341 1/20 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
SCHEMBL21451908 0.91 LMNA (0.42) LMNAPOLBP2RX7HDAC4SCN9A
SCHEMBL22727639 0.91 LMNA (0.42) LMNAPOLBP2RX7HDAC4SCN9A
SCHEMBL21452175 0.89 HDAC4 (0.39) P2RX7HDAC4SCN9ADDB1CRBN
SCHEMBL21452206 0.87 DRD2 (0.35) LMNAP2RX7HDAC4DDB1CRBN
SCHEMBL21452195 0.87 SCN9A (0.35) EPHX2SCN9ADDB1CRBNRORC
SCHEMBL21452470 0.87 SCN9A (0.35) EPHX2SCN9ADDB1CRBNRORC
SCHEMBL21452471 0.87 SCN9A (0.35) EPHX2SCN9ADDB1CRBNRORC
SCHEMBL21452482 0.86 SCN9A (0.40) LMNAPOLBP2RX7HDAC4SCN9A
SCHEMBL21452238 0.84 DPP8 (0.37) LMNAPOLBEPHX2P2RX7SCN9A
SCHEMBL21452201 0.84 HDAC4 (0.41) LMNAPOLBTAS1R3TAS1R1TAS1R2

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 LMNA 3431/4885POLB 4108/4885TAS1R3 3170/4885

“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.