SCHEMBL7654189

SCHEMBL7654189

CCOC(Cc1ccccc1Br)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TSHR P16473 3/20 0.41
TAAR1 Q96RJ0 3/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PYCR1 P32322 1/20 0.35
RIPK1 Q13546 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2478903 0.80 IDO1 (0.45) IDO1TSHRTAAR1PPARGPPARA
SCHEMBL5761538 0.77 IDO1 (0.42) IDO1TAAR1PPARGPPARACYP2D6
SCHEMBL7442131 0.76 IDO1 (0.47) IDO1TAAR1CYP2D6SLC6A2SLC6A4
SCHEMBL7535391 0.74 IDO1 (0.48) IDO1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL7654314 0.74 AR (0.35) TSHRHSD17B10L3MBTL1ALDH1A1NPSR1
Hydrogen Sulfide SCHEMBL27896698 0.73 KMT2A (0.50) PPARGPPARACYP2D6SLC6A2SLC6A4
SCHEMBL5077192 0.73 KMT2A (0.37) CYP2D6CYP2C19L3MBTL1KMT2A
SCHEMBL4685387 0.73 GABRA1 (0.52) IDO1TSHRTAAR1PPARGPPARA
SCHEMBL113325 0.73 TAAR1 (0.48) TAAR1PPARGPPARACYP2D6SLC6A2
Methoxymethane SCHEMBL27754277 0.72 GABRA1 (0.47) IDO1TSHRTAAR1PPARGPPARA

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-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-6365616-B1 TRANSPLANT REJECTION SENTRON MEDICAL, INC. 2002-04-02 US disclosed
EP-1112072-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES Sentron Medical, Inc. (US) 2001-07-04 EP disclosed
WO-2000012175-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES SENTRON MEDICAL, INC. (US) 2000-03-09 WO 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-20160083311-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE LIG1, LIG4, PPIP5K2 IDO1 1315/4885TSHR 3646/4885TAAR1 2120/4885

“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.