SCHEMBL7579847

SCHEMBL7579847

C1CCC(N[P+](NC2CCCCC2)(NC2CCCCC2)NC2CCCCC2)CC1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.34
EPHX1 P07099 5/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
Hydrochloric Acid SCHEMBL7566720 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL20815432 0.75 ALDH1A1 (0.75) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL15225557 0.70 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL19705361 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL278463 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL19966112 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL7776775 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL22369902 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL18844888 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4
SCHEMBL104545 0.69 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EEPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183561-A1 PROCESS FOR PREPARING POLYETHER POLYOLS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
US-6469218-B1 POLYADDITION OF ALKYLENE OXIDES ON TO STARTER COMPOUNDS CONTAINING ACTIVE HYDROGEN ATOMS UNDER BASIC CATALYSIS IN THE PRESENCE OF PHOSPHONIUM CATIONS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 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-20020183561-A1 PROCESS FOR PREPARING POLYETHER POLYOLS PHOSPHO1, SQLE, PUF60 ALDH1A1 4158/4885HSD17B10 172/4885KDM4E 3270/4885

“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.