SCHEMBL6809875

SCHEMBL6809875

[CH2]C(Cl)CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 2/20 0.43
HTR2A P28223 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIK1 P39086 1/20 0.42
IDO1 P14902 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL21582183 0.86 ALDH1A1 (0.44) MAOAMAOBHTR2AKCNH2SMN1; SMN2
SCHEMBL2408105 0.82 SIGMAR1 (0.48) SIGMAR1MAOAMAOBHTR2AKCNH2
SCHEMBL28780966 0.81 PPARG (0.46) MAOBKCNH2IDO1HDAC3HDAC4
SCHEMBL9244748 0.78 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AKCNH2
SCHEMBL5610357 0.78 MIF (0.46) SIGMAR1MAOAMAOBHTR2AKCNH2
SCHEMBL920968 0.78 SIGMAR1 (0.47) SIGMAR1MAOA
SCHEMBL1337921 0.78 HTR2A (0.48) SIGMAR1MAOAMAOBHTR2AGRIK1
SCHEMBL5609991 0.78 HDAC3 (0.47) SIGMAR1MAOAMAOBHTR2AKCNH2
SCHEMBL6683676 0.78 SIGMAR1 (0.47) SIGMAR1MAOA
SCHEMBL5502870 0.77 KCNH2 (0.50) SIGMAR1MAOAMAOBHTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133938-A1 Use of lipoic acid in plant culture media MONSANTO TECHNOLOGY LLC 2004-07-08 US disclosed
US-6387945-B2 REACTING AN AMINE AND A CARBOXY-1,2-DITHIOLANE DERIVATIVE TO PRODUCE COMPOUNDS SUCH AS N,N-DIMETHYL-N-2-AMIDOETHYL LIPOATE USED TO TREAT CONDITIONS INVOLVING REACTIVE OXYGEN SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-05-14 US disclosed
US-20010039292-A1 Lipoic acid analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2001-11-08 US disclosed
US-6235772-B1 OXIDATION RESISTANCE; ATHEROSCLEROSIS; AUTOIMMUNE DISEASES; BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-05-22 US disclosed
EP-1061914-A1 LIPOIC ACID ANALOGS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-27 EP disclosed
US-6090842-A REDUCES CONCENTRATION OF OXYGEN IN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-18 US disclosed
WO-1999045922-A1 LIPOIC ACID ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-16 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-20010039292-A1 Lipoic acid analogs ALOX5, ALOX15, ACSL5 SIGMAR1 419/4885MAOA 1088/4885MAOB 841/4885
US-20040133938-A1 Use of lipoic acid in plant culture media TTPA, TST, LRAT SIGMAR1 4654/4885MAOA 2374/4885MAOB 2401/4885

“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.