SCHEMBL4285933

SCHEMBL4285933

CC(C)CCn1c(=O)n(CCC(C)C)c2cc(C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.49
B3GNT2 Q9NY97 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPD P32754 10/20 0.45
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4282176 0.85 CNR2 (0.50) KDM4EHPDKMT2AALDH1A1HPGD
SCHEMBL6205386 0.80 HPD (0.58) SLC22A12KDM4EHPDKMT2AALDH1A1
SCHEMBL6243978 0.73 BCHE (0.58) CNR1CNR2
SCHEMBL474533 0.73 ALDH1A1 (0.46) SLC22A12KDM4EHPDMEN1KMT2A
SCHEMBL1422842 0.71 SMN1; SMN2 (0.71) KDM4EMEN1KMT2AALDH1A1
SCHEMBL6044123 0.70 HCAR3 (0.73) HPGD
SCHEMBL24815336 0.70 SLC22A12 (0.57) SLC22A12B3GNT2KDM4EHPDMEN1
SCHEMBL27446319 0.70 HPD (0.62) SLC22A12B3GNT2KDM4EHPDMEN1
SCHEMBL30049030 0.70 SLC22A12 (0.57) SLC22A12B3GNT2KDM4EHPDMEN1
SCHEMBL14802479 0.69 ALDH1A1 (0.52) ALDH1A1

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
CN-1325376-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2001-12-05 CN disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 SLC22A12 784/4885B3GNT2 796/4885KDM4E 3794/4885

“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.