SCHEMBL5315326

SCHEMBL5315326

O=C(O)[C@H]1CC1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.70
HDAC4 P56524 1/20 0.66
ALDH1A1 P00352 2/20 0.63
SLC9A1 P19634 1/20 0.59
HPGD P15428 1/20 0.56
DEGS1 O15121 1/20 0.54
NAMPT P43490 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51

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
SCHEMBL323824 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL1172743 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL3359435 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL2034678 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL8295172 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL5217474 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL323823 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
SCHEMBL4126470 1.00 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1HPGD
Hydrochloric Acid SCHEMBL5089207 0.98 FFAR1 (0.68) FFAR1HDAC4ALDH1A1SLC9A1HPGD
Hydrochloric Acid SCHEMBL5089203 0.98 FFAR1 (0.68) FFAR1HDAC4ALDH1A1SLC9A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290491-A Copper nanocluster and preparation method thereof 清华大学 2024-07-05 CN claimed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP claimed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP claimed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
CN-118290491-A Copper nanocluster and preparation method thereof 清华大学 2024-07-05 CN disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
CN-104884432-A Alpha7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME 2015-09-02 CN disclosed
US-8981049-B2 Aziridine mediated native chemical ligation WASHINGTON STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-20130131311-A1 AZIRIDINE MEDIATED NATIVE CHEMICAL LIGATION WASHINGTON STATE UNIVERSITY (US) 2013-05-23 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO disclosed
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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 (3 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-20130131311-A1 AZIRIDINE MEDIATED NATIVE CHEMICAL LIGATION PTMS, NGLY1, DNPEP FFAR1 2296/4885HDAC4 4706/4885ALDH1A1 1335/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS FFAR1 4075/4885HDAC4 1371/4885ALDH1A1 1370/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS FFAR1 4075/4885HDAC4 1371/4885ALDH1A1 1370/4885

“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.