SCHEMBL18015381

SCHEMBL18015381

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-c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
KIF11 P52732 2/20 0.37
ENPP3 O14638 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TGFBR1 P36897 6/20 0.33
ASIC3 Q9UHC3 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SYK P43405 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MAP4K4 O95819 1/20 0.31
WNT3A P56704 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
SCHEMBL19794451 0.95 LDHA (0.43) LDHAKIF11ENPP3TGFBR1ASIC3
SCHEMBL18015376 0.92 LDHA (0.42) LDHAENPP3TGFBR1ASIC3PDCD1
SCHEMBL18015373 0.90 PIM1 (0.35) LDHATGFBR1ALOX5APFEN1WNT3A
SCHEMBL19833453 0.90 LDHA (0.39) LDHAIRAK4TGFBR1ASIC3ALOX5AP
SCHEMBL18015382 0.89 TGFBR1 (0.43) LDHAKIF11TGFBR1
SCHEMBL18015378 0.88 TGFBR1 (0.38) LDHAMAPTTGFBR1ALOX5APFEN1
SCHEMBL24380105 0.86 LDHA (0.32) LDHA
SCHEMBL21021324 0.86 LDHA (0.36) LDHAMAPTTGFBR1ALOX5APFEN1
SCHEMBL19833451 0.86 LDHA (0.36) LDHAMAPTTGFBR1ALOX5APFEN1
SCHEMBL19801361 0.83 LDHA (0.34) LDHATGFBR1

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 LDHA 2726/4885KIF11 2722/4885ENPP3 329/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885KIF11 1128/4885ENPP3 621/4885

“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.