SCHEMBL13849750

SCHEMBL13849750

C/C(=C/C(=O)C(F)(F)F)Nc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 7/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ PDK1 Q15118 2/20 0.34
▸ PDK2 Q15119 2/20 0.34
▸ PDK3 Q15120 2/20 0.34

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
SCHEMBL13846445 0.84 MAPT (0.59) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL13849997 0.84 GAA (0.37) MAPTALDH1A1GAAKMT2AMAPK1
SCHEMBL13846447 0.81 MAPT (0.54) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL29230461 0.76 ALDH1A1 (0.53) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL13849935 0.75 TDP1 (0.52) MAPTALDH1A1KMT2ATDP1MAPK1
SCHEMBL7521076 0.70 MDM4 (0.54) MAPTKMT2ATDP1MAPK1MEN1
SCHEMBL13846438 0.69 NFE2L2 (0.41) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL3725713 0.67 MAPT (0.59) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL3725716 0.67 MAPT (0.59) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL18729658 0.65 TDP1 (0.46) MAPTALDH1A1GAAKDM4ETDP1

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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 — — US disclosed
EP-2039677-A1 ORGANIC COMPOUNDS CONTAINING HETEROATOMS AND THEIR USE IN ZIEGLER-NATTA CATALYST WITH SINGLE ACTIVATION CENTER SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-03-25 — — EP 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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885ALDH1A1 2171/4885GAA 2185/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885ALDH1A1 2171/4885GAA 2185/4885

“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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