SCHEMBL21452480

SCHEMBL21452480

O=C1CCCCC1c1cccc(F)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
RBP4 P02753 12/20 0.35
TLR4 O00206 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30496225 0.81 TP53 (0.43) TLR4MCL1KDM4EGAA
SCHEMBL21452414 0.81 TP53 (0.43) TLR4MCL1KDM4EGAA
SCHEMBL10356725 0.81 KDM4E (0.45) TLR4MCL1KDM4EGAA
SCHEMBL21452450 0.79 TAS1R3 (0.42) P2RX7GAA
SCHEMBL27173329 0.79 OPRL1 (0.41) RBP4TLR4MCL1KDM4EGAA
SCHEMBL21451909 0.77 GAA (0.49) RBP4MCL1GAA
SCHEMBL21451900 0.76 TLR4 (0.41) TLR4HCAR1MCL1KDM4E
SCHEMBL21452532 0.75 AR (0.39) P2RX7TLR4HCAR1
SCHEMBL21451929 0.73 HCRTR1 (0.41) KDM4E
SCHEMBL21452522 0.73 CA1 (0.40) P2RX7TLR4MCL1

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 P2RX7 1048/4885RBP4 2508/4885TLR4 1217/4885

“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.