SCHEMBL18803860

SCHEMBL18803860

Cc1cc(-c2ccc3ccccc3c2-c2cccc3ccccc23)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL2614365 0.88 KDM4E (0.60) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL31612679 0.72 KDM4E (0.55) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL29410608 0.72 DNMT1 (0.59) KDM4EGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL196007 0.72 DNMT1 (0.59) KDM4EGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL29787010 0.72 DNMT1 (0.59) KDM4EGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL2614354 0.72 NPC1 (0.64) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL3676506 0.72 ALDH1A1 (0.47) KDM4EHSD17B10L3MBTL1RAB9ASMN1; SMN2
SCHEMBL19374774 0.71 NPC1 (0.68) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL1752965 0.71 KDM4E (0.44) KDM4EGAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL18027880 0.70 L3MBTL1 (0.59) KDM4ENPC1GAAHSD17B10L3MBTL1

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
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 — — US disclosed
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 — — US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 — — US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 — — 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-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS ACACB, ACACA, ZKSCAN2 KDM4E 2054/4885NPC1 1588/4885GAA 39/4885

“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.

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