SCHEMBL2015391

SCHEMBL2015391

O=C1CCC(=O)C12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CRBN Q96SW2 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL2015392 1.00 ALDH1A1 (0.35) ALDH1A1TRIM24TRIM33L3MBTL1ESR1
SCHEMBL6757690 0.91 CRBN (0.36) ALDH1A1TRIM24TRIM33L3MBTL1ESR1
SCHEMBL6757693 0.91 CRBN (0.36) ALDH1A1TRIM24TRIM33L3MBTL1ESR1
SCHEMBL11866693 0.85 CRBN (0.36) CRBN
SCHEMBL1903325 0.84 CRBN (0.33) ALDH1A1TRIM24TRIM33CRBN
SCHEMBL2982384 0.81 ALDH1A1 (0.33) ALDH1A1L3MBTL1ESR1ESR2ACHE
SCHEMBL2988042 0.81 ALDH1A1 (0.33) ALDH1A1L3MBTL1ESR1ESR2ACHE
SCHEMBL17223833 0.77
SCHEMBL3646429 0.75 MEN1 (0.48) ALDH1A1TRIM24TRIM33
SCHEMBL731994 0.75 MAPT (0.36) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 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 (4 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885TRIM24 1898/4885TRIM33 2359/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK ALDH1A1 1614/4885TRIM24 1898/4885TRIM33 2359/4885
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 2406/4885TRIM24 2714/4885TRIM33 1649/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885TRIM24 1898/4885TRIM33 2359/4885

“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.