SCHEMBL6410879

SCHEMBL6410879

C=C1CC2Cc3ccccc3C(O2)C1=C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KDM1A O60341 4/20 0.33
KMT2A Q03164 1/20 0.31
PRCP P42785 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL7660405 0.66 CHRNB2 (0.42) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL5693155 0.62 GRIN2D (0.43) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL8201616 0.61 KMT2A (0.46) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL2696782 0.61 KMT2A (0.46) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL5061699 0.61 KMT2A (0.46) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL2370159 0.61 KMT2A (0.46) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL29032068 0.61 L3MBTL4 (0.43) SIGMAR1
SCHEMBL15726594 0.60 KMT2A (0.35) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL1036653 0.60 CHRNB2 (0.45) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL8021997 0.60

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-6872840-B1 Synthesis of 8-membered carbocyclic compound having diexomethylene groups KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-29 US claimed
US-20050059732-A1 SYNTHESIS OF 8-MEMBERED CARBOCYCLIC COMPOUND HAVING DIEXOMETHYLENE GROUPS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2005-03-17 US claimed
US-6872840-B1 Synthesis of 8-membered carbocyclic compound having diexomethylene groups KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-29 US disclosed
US-20050059732-A1 SYNTHESIS OF 8-MEMBERED CARBOCYCLIC COMPOUND HAVING DIEXOMETHYLENE GROUPS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2005-03-17 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-20050059732-A1 SYNTHESIS OF 8-MEMBERED CARBOCYCLIC COMPOUND HAVING DIEXOMETHYLENE GROUPS LTC4S, KARS1, C1S CHRNB2 4516/4885CHRNA4 4345/4885GRIN2D 4316/4885

“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.