SCHEMBL1453092

SCHEMBL1453092

Brc1ccc2c(c1)C(CC1=CC(c3cccs3)=CC1)c1cc(Br)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
PGR P06401 1/20 0.31
PRNP P04156 1/20 0.31
PPARG P37231 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL1454009 0.88 KMT2A (0.33) KMT2ATSHRKDM4EMAPTALDH1A1
SCHEMBL1451480 0.80 PGR (0.38) PGR
SCHEMBL1451863 0.74 KMT2A (0.33) KMT2ATSHRMEN1PRNPPPARG
SCHEMBL1453619 0.74 KMT2A (0.38) KMT2ATSHRKDM4EMAPTALDH1A1
SCHEMBL1452892 0.74 PGR (0.38) MAPTPGR
SCHEMBL1452562 0.73
SCHEMBL1453765 0.71 MEN1 (0.30) KMT2AMAPTMEN1HTT
SCHEMBL1453115 0.71 PGR (0.34) PGR
SCHEMBL1452830 0.71 PGR (0.34) PGR
SCHEMBL1453064 0.66 PGR (0.37) PGR

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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 (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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 KMT2A 2970/4885TSHR 47/4885KDM4E 3402/4885

“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.