SCHEMBL21452485

SCHEMBL21452485

O=C1CCCCC1c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL21451900 0.81 TLR4 (0.41) TLR4CA1CA2CA4KMT2A
SCHEMBL21451943 0.81 TLR4 (0.41) TLR4CA1CA2CA4KMT2A
SCHEMBL21452202 0.80 TLR4 (0.40) TLR4CA1CA2CA4KMT2A
SCHEMBL1617559 0.79 TLR4 (0.42) TLR4CA1CA2CA4KMT2A
Ethoxycarbonyl Group SCHEMBL27923680 0.78
SCHEMBL1617064 0.74 TLR4 (0.41) TLR4CA1CA2CA4KMT2A
SCHEMBL23003540 0.74 TLR4 (0.34) TLR4
SCHEMBL1615804 0.74 MEN1 (0.47) TLR4CA1CA2CA4KMT2A
SCHEMBL21452459 0.74 TLR4 (0.34) TLR4
SCHEMBL511549 0.73 CYP19A1 (0.38) TLR4CA1CA2CA4

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 TLR4 1217/4885CA1 2743/4885CA2 3291/4885

“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.