SCHEMBL3384398

SCHEMBL3384398

CC1(C)N=C(c2ccccc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 1/20 0.39
HK2 P52789 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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 SCHEMBL11729437 0.98 ALDH1A1 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24241764 0.96 MAPT (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6136012 0.90 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6698057 0.87 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10583841 0.82 ALOX15 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24241601 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2317085 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6702374 0.81 ALOX15 (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24534547 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24534438 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552206-B2 NF-κB inhibitors and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-10-08 US disclosed
US-7858808-B2 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-12-28 US disclosed
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2010-08-12 US disclosed
US-7652056-B2 Using 4-imidazoline carboxylic acid or ester; antiinflammatory agents; microbiocides; bactericides; antitumor agenst0 BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-01-26 US disclosed
US-20090275603-A1 NF- kB Inhibitors And Uses Thereof MICHIGAN STATE UNIVERSITY 2009-11-05 US disclosed
WO-2009127722-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
WO-2009127722-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
EP-1534686-B1 NF-KB INHIBITORS AND USES THEREOF UNIV MICHIGAN STATE (US) 2009-05-20 EP disclosed
US-7528161-B2 NF-kappaB inhibitors and uses thereof MICHIGAN STATE UNIVERSITY (US) 2009-05-05 US disclosed
EP-2034994-A2 NF-KAPPA B INHIBITORS AND USES THEREOF The Board Of Trustees Operating Michigan State University (US) 2009-03-18 EP disclosed
EP-1534686-A2 NF-KB INHIBITORS AND USES THEREOF Michigan State University (US) 2005-06-01 EP disclosed
US-6878735-B2 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-04-12 US disclosed
US-20050020586-A1 NF-kappaB inhibitors and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-01-27 US disclosed
WO-2004066996-A1 NF-kB INHIBITORS AND USES THEREOF MICHIGAN STATE UNIVERSITY (US) 2004-08-12 WO disclosed
US-20030232870-A1 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-12-18 US disclosed
US-20030232998-A1 NF-kB inhibitors and uses threreof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-12-18 US disclosed
WO-2003101954-A2 NF-KB INHIBITORS AND USES THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 WO disclosed
EP-0480568-B1 Post-processing stabilization of photothermographic emulsions MINNESOTA MINING & MFG (US) 1998-06-10 EP disclosed
US-5175081-A Post-processsing stabilization of photothermographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-29 US disclosed
EP-0480568-A2 Post-processing stabilization of photothermographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-15 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 (5 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-20090275603-A1 NF- kB Inhibitors And Uses Thereof NFKBIA, IKBKB, IKBKG ALDH1A1 4090/4885MAPT 4269/4885HPGD 2950/4885
US-20030232998-A1 NF-kB inhibitors and uses threreof NFKBIA, IKBKB, IKBKG ALDH1A1 4588/4885MAPT 3437/4885HPGD 4284/4885
US-20050020586-A1 NF-kappaB inhibitors and uses thereof NFKBIA, IKBKB, IKBKG ALDH1A1 3788/4885MAPT 4502/4885HPGD 2758/4885
US-20030232870-A1 Multi-substituted imidazolines and method of use thereof IKBKB, NFKBIA, IKBKG ALDH1A1 4715/4885MAPT 4506/4885HPGD 3089/4885
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof NFKBIA, IKBKB, CHUK ALDH1A1 4640/4885MAPT 4624/4885HPGD 2357/4885

“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.