SCHEMBL7121406

SCHEMBL7121406

BrC12CC3CC(CC(C3)C1(Br)Br)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
LMNA P02545 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1930949 0.74 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3841485 0.72 SLC22A2 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4712867 0.70 ALDH1A1 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL258925 0.65 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8680357 0.65 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1930951 0.65 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3714842 0.63 MAPT (0.33)
SCHEMBL4999951 0.63 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL28264015 0.63 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1890473 0.63 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990691-A Hydrolyzing tribromoadamantane in presence of pyridine to form triol IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-05 US claimed
EP-0363866-A2 Higher carboxylic acid triester of adamantane triol and lubricating oil containing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-18 EP claimed
CN-107324978-B Biphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2020-10-02 CN disclosed
US-20030143332-A1 Coating solution for forming insulating film SUMITOMO CHEMICAL COMPANY, LIMITED 2003-07-31 US disclosed
US-6133488-A Processes for separating adamantanols DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 2000-10-17 US disclosed
EP-0844228-A2 Processes for separating adamantanols DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-27 EP 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-20030143332-A1 Coating solution for forming insulating film TET1, TAS1R1, ITGA1 GRIN2D 522/4885GRIN3B 588/4885GRIN1 27/4885

“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.