SCHEMBL21452489

SCHEMBL21452489

NC1(c2c(F)cc(F)cc2F)CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.39
TNKS2 Q9H2K2 4/20 0.39
HDAC4 P56524 1/20 0.34
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL21452174 0.84 HDAC4 (0.39) TNKSTNKS2HDAC4SLC6A4
SCHEMBL21451949 0.82 HDAC4 (0.38) TNKSTNKS2HDAC4
SCHEMBL21452200 0.78 HDAC4 (0.36) HDAC4
SCHEMBL23595773 0.76 KDM1A (0.42) SLC6A4SLC6A3
SCHEMBL30893601 0.76 KDM1A (0.42) SLC6A4SLC6A3
SCHEMBL23595816 0.76 KDM1A (0.42) SLC6A4SLC6A3
SCHEMBL21452408 0.76 KDM1A (0.42) SLC6A4SLC6A3
SCHEMBL30893594 0.76 KDM1A (0.42) SLC6A4SLC6A3
SCHEMBL30207581 0.75 SLC6A3 (0.49) SLC6A4SLC6A3
SCHEMBL27173357 0.75 SLC6A3 (0.49) SLC6A4SLC6A3

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 TNKS 4574/4885TNKS2 4685/4885HDAC4 2874/4885

“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.