SCHEMBL21780179

SCHEMBL21780179

CN(CCCC=O)C(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
HIF1A Q16665 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
SCHEMBL20343850 0.93 TSHR (0.35) TSHR
SCHEMBL22600528 0.68 TSHR (0.35) TSHRHIF1A
SCHEMBL1751213 0.64
SCHEMBL19968284 0.64
SCHEMBL7672956 0.63 HIF1A (0.43) TSHRHIF1A
SCHEMBL2562009 0.63
SCHEMBL10596471 0.63 HIF1A (0.38) TSHRHIF1A
SCHEMBL22788873 0.63 TSHR (0.44) TSHRHIF1A
Hydrochloric Acid SCHEMBL17550738 0.62
Bromide SCHEMBL17550734 0.62

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028444-B1 ANTI-MICROBIAL HYDROGEL UNIV GENT (BE) 2023-08-16 EP disclosed
EP-4028445-B1 FIBROUS MATERIALS UNIV GENT (BE) 2023-08-16 EP disclosed
EP-3000854-B1 POLYMERIZABLE COMPOSITION, INK COMPOSITION FOR INK-JET RECORDING, METHOD OF INK-JET RECORDING, AND PRINTED ARTICLE FUJIFILM CORP (JP) 2020-03-04 EP disclosed
US-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACUTICALS, INC. 2016-08-04 US 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-20160220558-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 TSHR 2895/4885HIF1A 2606/4885

“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.