SCHEMBL4058299

SCHEMBL4058299

CC12CC3CC(C)(C1)CC(C14CC5CC(CC(Br)(C5)C1)C4)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.39
GRIN2A Q12879 6/20 0.39
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 0.39
LMNA P02545 2/20 0.39
SLC22A1 O15245 1/20 0.39
ESR1 P03372 1/20 0.39
ADRB3 P13945 1/20 0.39
ACHE P22303 1/20 0.39
OPRK1 P41145 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4443348 0.86 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4055257 0.85 ALDH1A1 (0.31) LMNA
SCHEMBL3849632 0.82
SCHEMBL4059325 0.82 LMNA (0.32) LMNAMEN1KMT2A
SCHEMBL2710043 0.81 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4441622 0.80
SCHEMBL4449687 0.80 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL13628690 0.80 LMNA (0.31) LMNAMEN1KMT2A
SCHEMBL2763210 0.79 GRIN1 (0.56) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4064627 0.78 PKM (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612155-B2 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2009-11-03 US disclosed
US-7612155-B2 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2009-11-03 US disclosed
US-7612155-B2 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2009-11-03 US disclosed
US-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-2014636-A1 Ethynylphenylbiadamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2009-01-14 EP disclosed
US-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2007-11-01 US disclosed
US-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2007-11-01 US disclosed
US-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2007-11-01 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 (2 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-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device C1S, C1R, MLX GRIN1 1834/4885GRIN2A 2798/4885GRIN2D 1640/4885
US-20090030248-A1 Ethynylphenylbiadamantane derivatives CHRNA5, CHRNE, ADRA1D GRIN1 206/4885GRIN2A 101/4885GRIN2D 113/4885

“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.