SCHEMBL20204572

SCHEMBL20204572

CCCCCCCCCCC(C)=N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.59
SPHK1 Q9NYA1 1/20 0.59
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
TSHR P16473 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL8694633 1.00
SCHEMBL21370409 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL4469705 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL9206179 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL18531229 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL13890522 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL12811267 1.00 SPHK2 (0.59) SPHK2SPHK1CES2CES1GPR84
SCHEMBL6744951 0.97
SCHEMBL11638149 0.88
SCHEMBL12019018 0.87 SPHK2 (0.41) SPHK2SPHK1CES2CES1GPR84

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 US disclosed
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 US disclosed
EP-3777891-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID Institute of Basic Medical Sciences, Chinese Academi of Medical Sciences (CN) 2021-02-17 EP disclosed
WO-2018098168-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A HISTONE DEACETYLASE INHIBITOR AND A PROGRAMMED DEATH-LIGAND 1 (PD-L1) INHIBITOR AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. (US) 2018-05-31 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 (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-20240294470-A1 FRAGRANCE COMPOUNDS FASN, FAAH2, FADS2 SPHK2 1268/4885SPHK1 1006/4885CES2 84/4885
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 SPHK2 1133/4885SPHK1 2317/4885CES2 3516/4885

“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.