SCHEMBL960636

SCHEMBL960636

CNN=C(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.61
GAA P10253 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
ATM Q13315 1/20 0.57
METTL3 Q86U44 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
KDM4E B2RXH2 2/20 0.53
OPRK1 P41145 1/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL960634 1.00 MAPT (0.61) MAPTPOLBGAATDP1NPSR1
SCHEMBL16437840 0.87 MAPT (0.56) MAPTPOLBGAATDP1NPSR1
SCHEMBL24000933 0.79 ALDH1A1 (0.44) MAPTGAATDP1NPSR1ALDH1A1
SCHEMBL1563351 0.79 RAB9A (0.81) MAPTPOLBGAAALDH1A1LMNA
SCHEMBL1563352 0.79 RAB9A (0.81) MAPTPOLBGAAALDH1A1LMNA
SCHEMBL5732784 0.79 RAB9A (0.81) MAPTPOLBGAAALDH1A1LMNA
SCHEMBL962604 0.78 ALDH1A1 (0.48) MAPTPOLBGAATDP1NPSR1
SCHEMBL3273659 0.77 GAA (0.69) MAPTPOLBGAATDP1NPSR1
SCHEMBL4413307 0.77 GAA (0.69) MAPTPOLBGAATDP1NPSR1
SCHEMBL13345208 0.77 GAA (0.69) MAPTPOLBGAATDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP claimed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP claimed
CN-104277001-A Method for the regioselective synthesis of 1-alkyl-3-haloalkyl-pyroazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AKTENGESELLSCHAFT 2015-01-14 CN claimed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US claimed
CN-102026981-A Regioselective preparation of 1-alkyl-3-haloalkylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AKTENGESELLS 2011-04-20 CN claimed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US claimed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP claimed
EP-0594671-B1 COMPOSITION CONTAINING OLEFINICALLY UNSATURATED COMPOUNDS AND HYDRAZONES HENKEL KGAA (DE) 2000-09-20 EP claimed
US-6013750-A CURABLE MIXTURE COMPRISING A HYDRAZONE INITIATOR, (METH)ACRYLIC ESTER MONOMERS, AND (METH)ACRYLATED POLYURETHANE HAVING POLYLACTONE, POLYESTER, AND/OR POLYETHER RESIDUES IN THE BACKBONE; BONDING STRENGTH, STABILITY HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-01-11 US claimed
EP-0594671-A1 COMPOSITION CONTAINING OLEFINICALLY UNSATURATED COMPOUNDS AND HYDRAZONES Henkel Kommanditgesellschaft auf Aktien (DE) 1994-05-04 EP claimed
WO-1993001218-A1 COMPOSITION CONTAINING OLEFINICALLY UNSATURATED COMPOUNDS AND HYDRAZONES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-01-21 WO claimed
US-4112146-A Polyester resin compositions which are photocurable in the presence of oxygen and an organic hydrazone polymerization initiator CELANESE CORPORATION (US) 1978-09-05 US claimed
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KK (JP) 2023-04-27 US disclosed
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP disclosed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP disclosed
CN-104277001-A Method for the regioselective synthesis of 1-alkyl-3-haloalkyl-pyroazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AKTENGESELLSCHAFT 2015-01-14 CN disclosed
WO-1995014720-A1 AEROBIC ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-06-01 WO disclosed
EP-0594671-A1 COMPOSITION CONTAINING OLEFINICALLY UNSATURATED COMPOUNDS AND HYDRAZONES Henkel Kommanditgesellschaft auf Aktien (DE) 1994-05-04 EP disclosed
WO-1993001218-A1 COMPOSITION CONTAINING OLEFINICALLY UNSATURATED COMPOUNDS AND HYDRAZONES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-01-21 WO disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 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 (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-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC MAPT 4589/4885POLB 2448/4885GAA 1564/4885
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 MAPT 3080/4885POLB 2219/4885GAA 2473/4885

“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.