SCHEMBL6061501

SCHEMBL6061501

ClNCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDM1A O60341 3/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
HPGD P15428 1/20 0.38
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28183003 0.97 SIGMAR1 (0.43) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL716430 0.78 SIGMAR1 (0.48) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL17086068 0.75
SCHEMBL3836071 0.74 SIGMAR1 (0.45) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22341229 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL629800 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22838527 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22520986 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL6247127 0.74 SIGMAR1 (0.45) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL19355233 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024177858-A1 PROCESSES FOR REDUCING ENVIRONMENTAL AVAILABILITY OF ENVIRONMENTAL POLLUTANTS ALBEMARLE CORPORATION (US) 2024-08-29 WO disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
EP-1454958-B1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEM CO LTD (JP) 2006-10-04 EP disclosed
US-20050001349-A1 Lactic acid polymer composition and molded object thereof NEW JAPAN CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1454958-A1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEMICAL CO.,LTD. (JP) 2004-09-08 EP disclosed
US-5973076-A MOLDING; CONTROLLING TEMPERATURE IN PRESENCE OF AN AMIDE COMPOUND NEW JAPAN CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
EP-0776933-A1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1997-06-04 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 (4 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SIGMAR1 1174/4885EPHX1 4232/4885CYP1A2 1361/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 SIGMAR1 3396/4885EPHX1 2331/4885CYP1A2 311/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 SIGMAR1 3396/4885EPHX1 2331/4885CYP1A2 311/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 SIGMAR1 3396/4885EPHX1 2331/4885CYP1A2 311/4885

“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.