SCHEMBL19833451

SCHEMBL19833451

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)c3)cc2)ncc1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.36
TOP1 P11387 2/20 0.35
TGFBR1 P36897 2/20 0.34
ALDH1A3 P47895 1/20 0.33
ADORA1 P30542 1/20 0.32
ROS1 P08922 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 2/20 0.31
SQOR Q9Y6N5 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTK2B Q14289 1/20 0.31
MAPK14 Q16539 1/20 0.31
STAT1 P42224 1/20 0.31
GCGR P47871 1/20 0.31
GRM5 P41594 1/20 0.31
NR3C1 P04150 1/20 0.30
CYP3A4 P08684 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
SCHEMBL21021324 1.00 LDHA (0.36) LDHATOP1TGFBR1ALDH1A3ADORA1
SCHEMBL19833453 0.95 LDHA (0.39) LDHATGFBR1ALOX5APFEN1DYRK1A
SCHEMBL18015378 0.93 TGFBR1 (0.38) LDHATOP1TGFBR1ALDH1A3ALOX5AP
SCHEMBL19794451 0.90 LDHA (0.43) LDHATOP1TGFBR1ADORA1DYRK1A
SCHEMBL18015376 0.89 LDHA (0.42) LDHATOP1TGFBR1ADORA1DYRK1A
SCHEMBL19833582 0.88 TGFBR1 (0.33) TGFBR1MAPK14
SCHEMBL18015373 0.87 PIM1 (0.35) LDHATGFBR1ROS1ALOX5APFEN1
SCHEMBL21020818 0.86 ASIC3 (0.39) TOP1TGFBR1ADORA1DYRK1A
SCHEMBL18015381 0.86 LDHA (0.40) LDHATGFBR1ALOX5APFEN1MAPT
SCHEMBL19794361 0.84 TGFBR1 (0.41) TOP1TGFBR1ALDH1A3SQORCYP1A2

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
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 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-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA LDHA 1047/4885TOP1 510/4885TGFBR1 1298/4885

“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.