SCHEMBL378758

SCHEMBL378758

CCCN(C(=O)O)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 3/20 0.56
PAX8 Q06710 2/20 0.56
TP53 P04637 2/20 0.56
GPX4 P36969 1/20 0.56
HTT P42858 2/20 0.55
JAK2 O60674 1/20 0.55
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 3/20 0.47
POLQ O75417 1/20 0.47
MEN1 O00255 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
TSPO P30536 1/20 0.43

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
SCHEMBL11346157 0.90 RAB9A (0.64) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL6695002 0.87 ALDH1A1 (0.56) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL9547612 0.86 ALDH1A1 (0.57) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL14577832 0.85 ALDH1A1 (0.55) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11424607 0.84 POLQ (0.45) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL7711085 0.84 ALDH1A1 (0.53) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11466292 0.83 KMT2A (0.47) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11463613 0.82 TSPO (0.51) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL164621 0.82 TP53 (0.61) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11499436 0.82 ALDH1A1 (0.50) RAB9AALDH1A1NPC1PAX8TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683239-A1 USE OF LIPOCHITO-OLIGOSACCHARIDE COMPOUNDS FOR SAFEGUARDING SEED SAFETY OF TREATED SEEDS Bayer Intellectual Property GmbH (DE) 2014-01-15 EP claimed
US-20130345058-A1 USE OF LIPOCHITO-OLIGOSACCHARIDE COMPOUNDS FOR SAFEGUARDING SEED SAFETY OF TREATED SEEDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-26 US claimed
WO-2012120105-A1 USE OF LIPOCHITO-OLIGOSACCHARIDE COMPOUNDS FOR SAFEGUARDING SEED SAFETY OF TREATED SEEDS BAYER CROPSCIENCE AG (DE) 2012-09-13 WO claimed
EP-2114118-B1 SAFEGUARDING SEED SAFETY OF TREATED SEEDS BAYER CROPSCIENCE AG (DE) 2012-09-12 EP claimed
EP-2213168-A1 Pesticidal combination of active agents Bayer CropScience AG (DE) 2010-08-04 EP claimed
US-20100130365-A1 SAFEGUARDING SEED SAFETY OF TREATED SEEDS BAYER CROPSCIENCE AG (DE) 2010-05-27 US claimed
EP-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP claimed
EP-1967057-A1 Safeguarding seed safety of treated seeds Bayer CropScience AG (DE) 2008-09-10 EP claimed
CN-113784952-B Esters of non-aromatic heterocyclic compounds having nematicidal activity, their agronomic compositions and uses thereof 高文作物保护公司 2024-07-19 CN disclosed
CN-113382996-B Theophylline derivatives with nematicidal activity, agronomic compositions and related uses 高文作物保护公司 2024-07-16 CN disclosed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-04-07 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
CN-113784952-A Esters of non-aromatic heterocyclic compounds with nematicidal activity, their agronomic compositions and uses thereof 伊萨格罗股份公司 2021-12-10 CN disclosed
WO-2000015622-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO disclosed
WO-2000010970-A1 METHOXIMINOPHENYLACETIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
WO-2000008003-A2 FUNGICIDE THIOPHENDIOXIMETHER BAYER AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
WO-2000003995-A1 DIPHENYLIMIDAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed
WO-1999016748-A1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed
US-4226883-A Carbamate derivatives and method for manufacture thereof YAMAMOTO IZURU 1980-10-07 US 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-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 RAB9A 611/4885ALDH1A1 1226/4885NPC1 931/4885
US-20100130365-A1 SAFEGUARDING SEED SAFETY OF TREATED SEEDS TUBA3C, TUBB3, TUBA1C RAB9A 1203/4885ALDH1A1 1044/4885NPC1 1691/4885
US-20130345058-A1 USE OF LIPOCHITO-OLIGOSACCHARIDE COMPOUNDS FOR SAFEGUARDING SEED SAFETY OF TREATED SEEDS FUT6, B3GNT2, FUT5 RAB9A 1872/4885ALDH1A1 1948/4885NPC1 247/4885
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ACHE, XDH, TYMP RAB9A 2155/4885ALDH1A1 2466/4885NPC1 2161/4885

“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.