SCHEMBL4170832

SCHEMBL4170832

O=C(O)CCCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.43
KDM5A P29375 4/20 0.42
PHF8 Q9UPP1 4/20 0.42
KDM2A Q9Y2K7 4/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM7A Q6ZMT4 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
KDM4A O75164 1/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 2/20 0.39
PMP22 Q01453 2/20 0.39
NFKB1 P19838 1/20 0.39
NAAA Q02083 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL1916440 0.94 KDM5A (0.49) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL28992209 0.92 KDM5A (0.51) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL27033240 0.92 KDM5A (0.51) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL28992197 0.92 KDM5A (0.51) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL28992185 0.92 KDM5A (0.51) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL28327954 0.88 LMNA (0.37) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL4171831 0.87 GLA (0.41) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL27033189 0.84 KDM5A (0.45) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL27033218 0.84 S1PR5 (0.46) S1PR5KDM5APHF8KDM2AKDM4C
SCHEMBL4612433 0.84

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
CN-110300791-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2023-03-31 CN disclosed
EP-3464258-A1 TETRAHYDROPYRANYL LOWER ALKYL ESTERS AND THE PRODUCTION OF SAME USING A KETENE COMPOUND BASF SE (DE) 2019-04-10 EP disclosed
WO-2017207539-A1 TETRAHYDROPYRANYL LOWER ALKYL ESTERS AND THE PRODUCTION OF SAME USING A KETENE COMPOUND BASF SE (DE) 2017-12-07 WO disclosed
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 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 (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-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 S1PR5 541/4885KDM5A 1242/4885PHF8 2782/4885

“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.