SCHEMBL1453574

SCHEMBL1453574

CC1=Cc2ccc(-c3cccs3)cc2C1CCC1C(C)=Cc2ccc(-c3cccs3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
PRMT6 Q96LA8 1/20 0.38
LTA4H P09960 1/20 0.38
PGR P06401 2/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC3 O15379 3/20 0.36
ERN1 O75460 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDK2 Q15119 1/20 0.35
SLC6A11 P48066 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 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
SCHEMBL1454019 0.91 KCNH2 (0.41) KCNH2PRMT6LTA4HPGRHDAC1
SCHEMBL1453967 0.80 KCNH2 (0.41) KCNH2PRMT6LTA4HPGRHDAC1
SCHEMBL4651917 0.79 HDAC2 (0.40) KCNH2PRMT6PGRHDAC1HDAC2
SCHEMBL1453380 0.79 KCNH2 (0.40) KCNH2PRMT6LTA4HPGRHDAC1
SCHEMBL1454121 0.77 HTR2C (0.34)
SCHEMBL1453960 0.77 PRMT6 (0.33) KCNH2PRMT6LTA4HCYP17A1CYP11B1
SCHEMBL1454105 0.75 QDPR (0.36) PRMT6ERN1CYP17A1CYP11B1CYP11B2
SCHEMBL1452795 0.72 LTA4H (0.36) KCNH2LTA4H
SCHEMBL1452902 0.71 CHRNB2 (0.32)
SCHEMBL1454482 0.69 EDNRB (0.38)

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 2 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
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 KCNH2 1293/4885PRMT6 1610/4885LTA4H 4290/4885

“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.