SCHEMBL18015378

SCHEMBL18015378

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.38
LDHA P00338 1/20 0.35
MAPK14 Q16539 1/20 0.35
TOP1 P11387 2/20 0.34
GCGR P47871 1/20 0.34
SCD O00767 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
IDO1 P14902 2/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
GPR39 O43194 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PTGS2 P35354 1/20 0.32
AAK1 Q2M2I8 2/20 0.32

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
SCHEMBL21021324 0.93 LDHA (0.36) TGFBR1LDHAMAPK14TOP1GCGR
SCHEMBL19833451 0.93 LDHA (0.36) TGFBR1LDHAMAPK14TOP1GCGR
SCHEMBL19794451 0.92 LDHA (0.43) TGFBR1LDHATOP1
SCHEMBL18015373 0.91 PIM1 (0.35) TGFBR1LDHAALOX5APFEN1
SCHEMBL19794361 0.91 TGFBR1 (0.41) TGFBR1MAPK14TOP1GCGRSCD
SCHEMBL18015376 0.88 LDHA (0.42) TGFBR1LDHATOP1
SCHEMBL18015381 0.88 LDHA (0.40) TGFBR1LDHAMAPTALOX5APFEN1
SCHEMBL21477364 0.87 IDO1 (0.35) TGFBR1LDHAMAPK14TOP1GCGR
SCHEMBL19833453 0.87 LDHA (0.39) TGFBR1LDHAALOX5APFEN1AAK1
SCHEMBL18015382 0.86 TGFBR1 (0.43) TGFBR1LDHAMAPK14TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TGFBR1 2080/4885LDHA 2726/4885MAPK14 4612/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 TGFBR1 4348/4885LDHA 1917/4885MAPK14 4458/4885

“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.