SCHEMBL5043214

SCHEMBL5043214

COC(=O)CCc1cccc(CN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CFD P00746 1/20 0.44
PTPN1 P18031 2/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ENPP2 Q13822 1/20 0.43
BRD4 O60885 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 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
Hydrochloric Acid SCHEMBL5043212 0.98 LOXL2 (0.55) LOXL2SIRT2ALDH1A1KDM4ELMNA
Acetic Acid SCHEMBL6775401 0.95 LOXL2 (0.53) LOXL2SIRT2ALDH1A1KDM4ELMNA
SCHEMBL4841796 0.90 LOXL2 (0.54) LOXL2SIRT2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4841789 0.89 LOXL2 (0.53) LOXL2SIRT2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL29112535 0.89 SIRT2 (0.53) LOXL2SIRT2ALDH1A1KDM4ELMNA
SCHEMBL2851609 0.86 LOXL2 (0.56) LOXL2SIRT2ALDH1A1LMNACYP4F2
SCHEMBL1410879 0.85 SIRT2 (0.52) SIRT2ALDH1A1KDM4ELMNASLC7A5
SCHEMBL28655132 0.85 SLC7A5 (0.57) SIRT2ALDH1A1KDM4ELMNASLC7A5
SCHEMBL19540906 0.85 SIRT2 (0.52) SIRT2ALDH1A1KDM4ELMNASLC7A5
SCHEMBL12255149 0.85 SIRT2 (0.52) SIRT2ALDH1A1KDM4ELMNASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 US disclosed
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE 2022-06-30 US disclosed
CN-114127050-A Benzopyran and imidazole derivatives useful for stabilizing amyloidogenic immunoglobulin light chains 斯克利普斯研究所 2022-03-01 CN disclosed
EP-3946604-A1 BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS The Scripps Research Institute (US) 2022-02-09 EP disclosed
WO-2020205683-A1 BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-10-08 WO disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
CN-1004351-B Method for preparing selaginellin related compound with phenylene 微生物化学研究会 1989-05-31 CN disclosed
EP-0153720-B1 SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-11-09 EP disclosed
CN-85101425-A Have Si Baige Eyring allied compound of phenylene and preparation method thereof 1987-01-17 CN disclosed
US-4556735-A BACTERICIDE, ANTITUMOR AGENT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1985-12-03 US disclosed
EP-0153720-A2 Spergualin-related compounds having a phenylene group, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1985-09-04 EP 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-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS TTR, MAP1LC3B, SAAL1 LOXL2 1116/4885SIRT2 3488/4885ALDH1A1 2072/4885
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains TTR, MAP1LC3B, SAAL1 LOXL2 1116/4885SIRT2 3488/4885ALDH1A1 2072/4885

“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.