SCHEMBL731265

SCHEMBL731265

CC(C)N(C(C)C)C1CCCCC1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.50
ADH1C P00326 4/20 0.50
ADH1B P00325 1/20 0.50
PHGDH O43175 2/20 0.34
FDPS P14324 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18841464 0.97 ADH1A (0.52) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL296264 0.97 ADH1A (0.52) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL9551174 0.97 ADH1A (0.52) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL15221572 0.94 ADH1A (0.48) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL19754763 0.91 ADH1A (0.44) ADH1AADH1CADH1B
SCHEMBL10036715 0.84 ADH1B (0.39) ADH1AADH1CADH1B
SCHEMBL20438384 0.84 ADH1B (0.39) ADH1AADH1CADH1B
SCHEMBL15996250 0.81 ADH1A (0.45) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL14317675 0.78 ADH1A (0.46) ADH1AADH1CADH1BPHGDHFDPS
SCHEMBL12250814 0.77 ADH1A (0.56) ADH1AADH1CADH1BPHGDHFDPS

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-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 US disclosed
CN-1332161-A Method for preparing sulfamine urea compound AMERICAN CYANAMID CO (US) 2002-01-23 CN disclosed
CN-1332160-A Process for prep. of 4-hydroxy-phenyl butanone AMERICAN CYANAMID CO (US) 2002-01-23 CN 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT ADH1A 1663/4885ADH1C 1430/4885ADH1B 1976/4885
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT ADH1A 1663/4885ADH1C 1430/4885ADH1B 1976/4885

“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.