SCHEMBL2948128

SCHEMBL2948128

CCCCOCCOCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
TSHR P16473 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
MEN1 O00255 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL2947287 1.00 AKR1B1 (0.52) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL476951 1.00 AKR1B1 (0.52) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL249764 0.98 AKR1B1 (0.54) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11764726 0.95 AKR1B1 (0.52) AKR1B1GPR84PPARGPPARDPPARA
Succinic Acid SCHEMBL2690032 0.93 AKR1B1 (0.54) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL30864421 0.91 AKR1B1 (0.54) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31327463 0.91 GPR84 (0.58) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31327462 0.91 GPR84 (0.58) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL20365465 0.91 GPR84 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL52475 0.91 AKR1B1 (0.65) AKR1B1GPR84PPARGPPARDPPARA

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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed
US-5602196-A OXIDATION AND HEAT RESISTANCE; PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1997-02-11 US disclosed
EP-0716076-A2 Bisphenolester derivatives CIBA-GEIGY AG (CH) 1996-06-12 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 (3 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L AKR1B1 1863/4885GPR84 1807/4885PPARG 4848/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L AKR1B1 1863/4885GPR84 1807/4885PPARG 4848/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L AKR1B1 1863/4885GPR84 1807/4885PPARG 4848/4885

“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.