SCHEMBL762328

SCHEMBL762328

CC1(CCCCCC(=O)O)NN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48

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
Pimelic Acid SCHEMBL27878807 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL27786930 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Azelaic Acid SCHEMBL28922830 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL10960004 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL10954518 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL27828752 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29235057 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29137858 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29141896 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Azelaic Acid SCHEMBL10960508 0.72 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 US disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 WO disclosed
WO-2013052851-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE AND PROTEIN LABELING USING LIPOIC ACID LIGASES SPECIFIC TO RESORUFIN MASSACHUSETTS INISTITUTE OF TECHNOLOGY (US) 2013-04-11 WO disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 US disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 US disclosed
US-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 US disclosed
US-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 US disclosed
WO-2009064366-A2 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-05-22 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 (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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 TSHR 4037/4885LMNA 1218/4885NFKB1 539/4885

“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.