SCHEMBL1454085

SCHEMBL1454085

CC1=Cc2ccccc2C1CCC1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 3/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL4622950 0.93 ALDH1A1 (0.36) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E
SCHEMBL3996671 0.92 SLC6A4 (0.35) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E
SCHEMBL7781565 0.86 CYP1A2 (0.40) SLC6A2SLC6A3SLC6A4CYP2D6ALDH1A1
SCHEMBL1451820 0.86 CA12 (0.33) SLC6A2SLC6A3SLC6A4CYP2D6ALDH1A1
SCHEMBL7039658 0.85 ALDH1A1 (0.36) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E
SCHEMBL1453704 0.82 PDCD1 (0.34) SLC6A2SLC6A3CYP2D6KDM4EMEN1
SCHEMBL8678964 0.82 ALDH1A1 (0.34) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E
SCHEMBL1454083 0.82 ALDH1A1 (0.33) SLC6A2SLC6A3CYP2D6KDM4EALDH1A1
SCHEMBL1241803 0.81 ALDH1A1 (0.33) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E
SCHEMBL4286443 0.80 ALDH1A1 (0.33) SLC6A2SLC6A3SLC6A4CYP2D6KDM4E

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 SLC6A2 2572/4885SLC6A3 660/4885SLC6A4 2253/4885

“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.