SCHEMBL6131357

SCHEMBL6131357

[Cr]C1=Cc2ccccc2C1c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
CCR1 P32246 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL1072120 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL6131362 0.82 LMNA (0.42) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL6131340 0.78 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL28517555 0.74 KDM4E (0.54) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL5615471 0.69 KDM4E (0.42) ALDH1A1LMNAKDM4EMMP2TSHR
Hydrochloric Acid SCHEMBL1074386 0.68 LMNA (0.39) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL5615466 0.68 LMNA (0.41) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL12533957 0.66 TSHR (0.52) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL12533961 0.66 TSHR (0.52) ALDH1A1LMNAKDM4EMMP2TSHR
SCHEMBL12533960 0.66 TSHR (0.52) ALDH1A1LMNAKDM4EMMP2TSHR

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-6919412-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-07-19 US disclosed
US-6911516-B1 Copolymers of ethylene with c3-c12 α-olefins BASELL POLYOLEFINE GMBH (DE) 2005-06-28 US disclosed
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 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 (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-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 ALDH1A1 4462/4885LMNA 3742/4885KDM4E 3587/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 ALDH1A1 4462/4885LMNA 3742/4885KDM4E 3587/4885

“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.