SCHEMBL12814943

SCHEMBL12814943

CCC(C)C1=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2D O15399 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN2B Q13224 2/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KCNN4 O15554 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
SCHEMBL16459030 0.86 TSHR (0.35) TSHRGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL12821898 0.84 LMNA (0.32) RORC
SCHEMBL12814631 0.84 TSHR (0.33) TSHRRORC
SCHEMBL12814967 0.80 KIF11 (0.34) TSHRGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL12815989 0.80 RORC (0.30) RORC
SCHEMBL12815123 0.73 KCNN4 (0.33) KCNN4
SCHEMBL12814627 0.71 KCNN4 (0.35) KCNN4
SCHEMBL6256382 0.71 KCNN4 (0.34) TSHRKCNN4
SCHEMBL12814498 0.70 TSHR (0.37) TSHR
SCHEMBL12815471 0.69 ESR1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 TSHR 2851/4885GRIN1 1511/4885GRIN2A 3449/4885

“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.