SCHEMBL1497358

SCHEMBL1497358

C=C(C)C(=O)CCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.55
LMNA P02545 2/20 0.48
TSHR P16473 6/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL27849974 0.93 TSHR (0.57) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL9292497 0.93 TSHR (0.57) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL1982596 0.89 CES1 (0.43) SLC22A6TSHRALDH1A1TDP1
SCHEMBL23565474 0.87 ACE (0.46) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL1497330 0.84 EGLN1 (0.52) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL12697091 0.84 CES1 (0.48) LMNATSHRNFKB1PMP22AKR1B1
Glutarate SCHEMBL27563696 0.84 SLC22A6 (0.69) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL28080286 0.82 KDM4E (0.40) SLC22A6LMNATSHRALDH1A1KMT2A
SCHEMBL4819568 0.82 ALDH1A1 (0.45) LMNAALDH1A1TDP1
SCHEMBL23565344 0.81 KMT2A (0.50) SLC22A6LMNATSHRNFKB1PMP22

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
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
CN-102443102-A Liquid film-forming material and synthesis method thereof SHAOSHENG DONG 2012-05-09 CN disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
EP-1767600-B1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2009-11-18 EP disclosed
US-4211566-A COATING RESIN, PIGMENT, ORGANOTIN COMPOUND TO SHIPS CHUGOKU MARINE PAINTS LTD. (JP) 1980-07-08 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 (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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SLC22A6 4751/4885LMNA 3776/4885TSHR 4020/4885

“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.