SCHEMBL8053083

SCHEMBL8053083

C1CCC(NC2CCCCC2)CC1.O=P(O)(O)OCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 3/20 0.38
LPAR5 Q9H1C0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
MMP2 P08253 4/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MMP1 P03956 2/20 0.35
MMP8 P22894 1/20 0.35
MMP3 P08254 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9280697 1.00 PGD (0.38) PGDLPAR5ALDH1A1HSD17B10ANPEP
Glycerin SCHEMBL6518227 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10ANPEPERAP2KDM4E
SCHEMBL14278848 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL7340 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL213379 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL7341 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL14278847 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL6655023 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL468639 0.77 PGK1 (0.50) PGDLPAR5PGK1PGK2MPI
Water SCHEMBL11070947 0.77 PGK1 (0.50) PGDLPAR5PGK1PGK2MPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10575520-B2 Cyclohexylamine-based compounds and uses thereof BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-03-03 US disclosed
US-20170265464-A1 CYCLOHEXYLAMINE-BASED COMPOUNDS AND USES THEREOF BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2017-09-21 US disclosed
US-6015573-A TREATMENT OF RESISTANT HERPES VIRUS WITH NUCLEOSIDE PHOSPHATE ESTERS RESOLUTION PERFORMANCE PRODUCTS LLC 2000-01-18 US disclosed
US-5879700-A TREATING HERPES VIRUS INFECTIONS HOSTETLER KARL Y (US) 1999-03-09 US disclosed
EP-0831794-A4 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1998-11-04 EP disclosed
US-5756116-A VIRICIDES USING ACYCLOVIR RESISTANT STRAIN OF HERPES VIRUS HOSTETLER KARL Y (US) 1998-05-26 US disclosed
EP-0831794-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER, Karl Y. (US) 1998-04-01 EP disclosed
EP-0746319-A4 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1997-11-05 EP disclosed
WO-1996040088-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1996-12-19 WO disclosed
EP-0746319-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER, Karl Y. (US) 1996-12-11 EP disclosed
US-5580571-A ACYCLOIR MONO OR DIPHOSPHATE; TOPICAL USE IN HERPES VIRUSINFECTIONS HOSTETLER KARL Y (US) 1996-12-03 US disclosed
WO-1994026273-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1994-11-24 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-20170265464-A1 CYCLOHEXYLAMINE-BASED COMPOUNDS AND USES THEREOF HNRNPA2B1, NOP2, HCRTR2 PGD 4812/4885LPAR5 690/4885ALDH1A1 3213/4885
US-10575520-B2 Cyclohexylamine-based compounds and uses thereof HNRNPA2B1, NOP2, HCRTR2 PGD 4812/4885LPAR5 690/4885ALDH1A1 3213/4885

“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.