SCHEMBL1453674

SCHEMBL1453674

CC1=Cc2c(Br)cccc2C1C(C)(C)C1C(C)=Cc2c(-c3cccs3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 1/20 0.30
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 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
SCHEMBL1453194 0.85 RAB9A (0.33) KDM4EALDH1A1RAB9ASMN1; SMN2LTA4H
SCHEMBL1453476 0.81 LTA4H (0.33) ALDH1A1RAB9ASMN1; SMN2LTA4HHTR1A
SCHEMBL1452923 0.81 LTA4H (0.33) ALDH1A1RAB9ASMN1; SMN2LTA4HHTR1A
SCHEMBL1452390 0.81 RAB9A (0.34) KDM4EALDH1A1RAB9ASMN1; SMN2LTA4H
SCHEMBL1451739 0.80
SCHEMBL1451812 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1453378 0.79 LRRK2 (0.31)
SCHEMBL1452697 0.78
SCHEMBL1453866 0.78 KCNH2 (0.34) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1453021 0.77 CA12 (0.33) KDM4EALDH1A1

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 KDM4E 3402/4885ALDH1A1 2182/4885RAB9A 3323/4885

“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.