SCHEMBL12596159

SCHEMBL12596159

CCCCOc1c(F)cc(Br)c2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
CCNB2 O95067 5/20 0.35
CCNE2 O96020 5/20 0.35
CDK1 P06493 5/20 0.35
CDK4 P11802 5/20 0.35
CCNB1 P14635 5/20 0.35
CCND1 P24385 5/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CCND2 P30279 5/20 0.35
CCND3 P30281 5/20 0.35
CCNB3 Q8WWL7 5/20 0.35

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
SCHEMBL12596193 0.84 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1013833 0.77 POLB (0.42) THRATHRBPOLBHTR1AMAPT
SCHEMBL30712076 0.77 POLB (0.42) THRATHRBPOLBHTR1AMAPT
SCHEMBL12596160 0.71 THRA (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5495898 0.70 AHR (0.35) KMT2A
SCHEMBL13062423 0.70 CCNB2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20576006 0.70 RHEB (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8242910 0.69 THRA (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5739839 0.69 KMT2A (0.37) POLBKMT2AFFAR4
SCHEMBL12874846 0.68 THRB (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GRIN2D 2417/4885GRIN3B 899/4885GRIN1 2100/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GRIN2D 2417/4885GRIN3B 899/4885GRIN1 2100/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT GRIN2D 2417/4885GRIN3B 899/4885GRIN1 2100/4885

“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.