SCHEMBL13846399

SCHEMBL13846399

C/C(=C/C(=O)c1ccccc1)Nc1ccccc1Oc1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ HPGD P15428 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL13918362 0.92 MAPT (0.47) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13846398 0.86 MAPT (0.52) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13846397 0.83 MAPT (0.60) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13846411 0.80 MAPT (0.74) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL15504784 0.80 MAPT (0.46) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13846407 0.80 MAPT (0.55) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13849752 0.79 MAPT (0.61) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL15504786 0.79 MAPT (0.58) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13846410 0.79 RAB9A (0.68) MAPTRAB9ANPC1MAPK1HPGD
SCHEMBL13849747 0.78 MAPT (0.57) MAPTRAB9ANPC1MAPK1HPGD

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
EP-2039677-B1 Organic compounds containing heteroatoms and their use in ziegler-natta catalyst with single activation center SHANGHAI INST ORGANIC CHEM (CN) 2014-04-23 — — EP 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-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
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

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 450/4885RAB9A 4804/4885NPC1 1139/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885RAB9A 4804/4885NPC1 1139/4885

“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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