SCHEMBL6580103

SCHEMBL6580103

CCCCCCCCCCCCCCC1OC1O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.50
SPHK1 Q9NYA1 6/20 0.50
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.41
GBA1 P04062 7/20 0.41

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
SCHEMBL28264194 1.00 SPHK2 (0.50) SPHK2SPHK1ALDH1A1EPHX1GBA1
SCHEMBL10436732 1.00 SPHK2 (0.50) SPHK2SPHK1ALDH1A1EPHX1GBA1
SCHEMBL6431885 1.00 SPHK2 (0.50) SPHK2SPHK1ALDH1A1EPHX1GBA1
SCHEMBL6664894 1.00 SPHK2 (0.50) SPHK2SPHK1ALDH1A1EPHX1GBA1
SCHEMBL3745108 1.00 SPHK2 (0.50) SPHK2SPHK1ALDH1A1EPHX1GBA1
Ethylene Glycol SCHEMBL8149806 0.93 SPHK2 (0.46) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL1750705 0.90
SCHEMBL28897867 0.84 TSHR (0.57) SPHK2SPHK1ALDH1A1
SCHEMBL8855730 0.81 ALDH1A1 (0.50) SPHK2SPHK1ALDH1A1EPHX1
SCHEMBL5685367 0.81 ALDH1A1 (0.50) SPHK2SPHK1ALDH1A1EPHX1

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-1412309-B1 EPOXIDE STABILIZATION OF FLUOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEM CO (US) 2015-04-29 EP claimed
EP-1412309-A2 EPOXIDE STABILIZATION OF FLUOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEMICAL COMPANY (US) 2004-04-28 EP claimed
US-6693219-B2 PREVENTING FLUOROPHOSPHITE LIGANDS HYDROLYSIS BY ADDING AN EPOXIDE; CATALYTIC HYDROFORMYLATION OF ALPHA-OLEFIN, HYDROGEN, CARBON MONOXIDE FOR PRODUCING ALDEHYDES EASTMAN CHEMICAL COMPANY 2004-02-17 US claimed
US-20030018220-A1 Preventing fluorophosphite ligands hydrolysis by adding an epoxide; catalytic hydroformylation of alpha-olefin, hydrogen, carbon monoxide for producing aldehydes EASTMAN CHEMICAL COMPANY 2003-01-23 US claimed
WO-2002098825-A2 EPOXIDE STABILIZATION OF FLUOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEMICAL COMPANY (US) 2002-12-12 WO claimed
US-5352310-A Forming a three-dimensional configuration by irradiating layers of polymer material to form latent image, stacking to form matrix, curing, separating NATTER MARC D (US) 1994-10-04 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-20030018220-A1 Preventing fluorophosphite ligands hydrolysis by adding an epoxide; catalytic hydroformylation of alpha-olefin, hydrogen, carbon monoxide for producing aldehydes CYP2F1, CYP4F2, CYP4F11 SPHK2 1789/4885SPHK1 1357/4885ALDH1A1 115/4885

“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.