SCHEMBL17579593

SCHEMBL17579593

Brc1cccc2ccoc12.[MgH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EED O75530 1/20 0.34
SLC6A2 P23975 1/20 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
SCHEMBL104411 0.98 MEN1 (0.38) HTR2AHTR2CMEN1NPC1CYP1A2
Acetaldehyde SCHEMBL4856093 0.86 HTR2A (0.39) HTR2AHTR2CMEN1NPC1CYP1A2
Ethoxycarbonyl Group SCHEMBL28029441 0.77 HTR2A (0.39) HTR2AHTR2CMEN1NPC1CYP1A2
SCHEMBL34463300 0.75 MAOA (0.40) HTR2AHTR2CMEN1NPC1CYP1A2
SCHEMBL276858 0.70 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL276859 0.70 ADORA2A (0.42) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5424464 0.70 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2589546 0.70 MEN1 (0.38) HTR2AHTR2CMEN1NPC1CYP1A2
SCHEMBL288995 0.70 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3798990 0.70 CYP1A2 (0.41) MEN1NPC1CYP1A2CYP3A4CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994444-B1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE SASOL TECH PTY LTD (ZA) 2023-04-12 EP disclosed
US-9546117-B2 Tetramerisation of ethylene SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2017-01-17 US disclosed
US-9533922-B2 Oligomerisation of ethylene to mixtures of 1-hexene and 1-octene SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2017-01-03 US disclosed
US-20160083311-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE SASOL TECHNOLOGY (PROPRIETARY LIMITED) (ZA) 2016-03-24 US disclosed
US-20160075616-A1 TETRAMERISATION OF ETHYLENE SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2016-03-17 US disclosed
EP-2994444-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE Sasol Technology (Proprietary) Limited (ZA) 2016-03-16 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-20160075616-A1 TETRAMERISATION OF ETHYLENE LIG4, MUS81, TPR HTR2A 3205/4885HTR2C 4152/4885MEN1 1268/4885
US-20160083311-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE LIG1, LIG4, PPIP5K2 HTR2A 2123/4885HTR2C 2274/4885MEN1 2314/4885

“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.