SCHEMBL2235480

SCHEMBL2235480

C#CC(O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
ENPEP Q07075 2/20 0.42
GSTK1 Q9Y2Q3 2/20 0.42
TSHR P16473 2/20 0.42
PMP22 Q01453 1/20 0.42
HMGCR P04035 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL7738368 1.00 LMNA (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL25272156 0.93 CYP2D6 (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL25272157 0.93 CYP2D6 (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL30343570 0.86
SCHEMBL11656320 0.77 USP2 (0.33)
SCHEMBL379236 0.76 LMNA (0.47) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL1712974 0.76 LMNA (0.47) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL9644802 0.75 TSHR (0.52) LMNATSHR
SCHEMBL11653010 0.75 USP2 (0.37)
SCHEMBL10415139 0.72 HMGCR (0.59) LMNACYP2D6MAPTNFKB1CYP1A2

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-20130316989-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2013-11-28 US disclosed
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 US disclosed
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
EP-0866791-B1 DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL ARPIDA AG (CH) 2002-01-30 EP disclosed
EP-1149834-A1 Diaminopyrimidines, pharmaceutical compositions containing them and their use as antibacterial F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
EP-0866791-A1 DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL F. HOFFMANN-LA ROCHE AG (CH) 1998-09-30 EP disclosed
US-5773446-A BACTERICIDES; CONTROLLING INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1998-06-30 US disclosed
WO-1997020839-A1 DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL F. HOFFMANN-LA ROCHE AG (CH) 1997-06-12 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 (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-20130316989-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE ALOX15B, ALOX12, ALOX15 LMNA 623/4885CYP2D6 1110/4885MAPT 4177/4885
US-20110245528-A1 THERAPEUTIC COMPOUNDS ALOX5, ALOX15B, ALOX12 LMNA 1445/4885CYP2D6 773/4885MAPT 3683/4885
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE ALOX15B, ALOX12, ALOX15 LMNA 623/4885CYP2D6 1110/4885MAPT 4177/4885
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION ALOX5, ALOX15B, ALOX12 LMNA 327/4885CYP2D6 1848/4885MAPT 4768/4885

“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.