SCHEMBL21477360

SCHEMBL21477360

CC(C)(C)c1ccc(C2CC(c3ccccc3Cl)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)cn4)cc3)C2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.35
HPGDS O60760 1/20 0.35
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
JAK1 P23458 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
SCHEMBL21480908 0.93 HPGDS (0.35) HPGDSRXRARXRB
SCHEMBL19780945 0.88 HPGDS (0.33) HPGDS
SCHEMBL19780736 0.85 HPGDS (0.34) HPGDSRXRARXRB
SCHEMBL19781093 0.84
SCHEMBL19780939 0.82 LDHA (0.36) FFAR2
SCHEMBL21125431 0.82 FFAR2 (0.34) FFAR2
SCHEMBL21125918 0.79 FFAR2 (0.35) FFAR2
SCHEMBL19933555 0.76 PDK1 (0.32) FFAR2
SCHEMBL19781095 0.76 ABL1 (0.36) FFAR2
SCHEMBL21480907 0.75 FFAR2 (0.30) FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 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 (3 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FFAR2 4863/4885HPGDS 4680/4885RXRA 3815/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 FFAR2 4863/4885HPGDS 4680/4885RXRA 3815/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FFAR2 4863/4885HPGDS 4680/4885RXRA 3815/4885

“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.