SCHEMBL3067955

SCHEMBL3067955

CC(C)(OC#N)c1cccc(C(C)(C)OC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
PGK1 P00558 2/20 0.32
PGK2 P07205 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL17299354 0.94 HDAC4 (0.39) MAPK1ESR1ESR2ATMALDH1A1
SCHEMBL18567172 0.91 JAK2 (0.37) MAPK1ESR1ESR2ATMALDH1A1
SCHEMBL4831574 0.84 MAPK1 (0.56) MAPK1ESR1ESR2ATMALDH1A1
SCHEMBL28309628 0.84 KIF11 (0.40) MAPK1ATMALDH1A1ALOX15HDAC4
SCHEMBL800741 0.83
SCHEMBL9349607 0.81 MAPK1 (0.39) MAPK1ESR1ESR2ALDH1A1ALOX15
SCHEMBL14616390 0.81 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL21679920 0.81 ATM (0.45) ESR1ESR2ATMMEN1KMT2A
SCHEMBL8763194 0.75
SCHEMBL8763330 0.73 MAPK1 (0.36) MAPK1ALDH1A1ALOX15PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
EP-2949676-B1 NON-HOT-MELT MDI-BASED POLYURETHANE COMPOSITION BEARING NCO END GROUPS AND HAVING A LOW CONTENT OF MDI MONOMER, COMPRISING AT LEAST ONE ISOCYANATE COMPOUND OF PARTICULAR MOLAR VOLUME BOSTIK SA (FR) 2023-02-22 EP disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
US-11089780-B2 Pendimethanlin microcapsules with a shell made of tetramethylxylylene diisocyanate and a polyamine with at least three amine groups BASF SE (DE) 2021-08-17 US disclosed
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-05 US disclosed
EP-3795564-A1 COMPOUND, CURABLE AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT Asahi Kasei Kabushiki Kaisha (JP) 2021-03-24 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
US-10765112-B2 Pesticidal microcapsules with a shell made of tetramethylxylylene diisocyanate, cycloaliphatic diisocyanate, and aliphatic diamine BASF SE (DE) 2020-09-08 US disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3260917-B1 PHOTOSENSITIVE RESIN COMPOSITION, PLANOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND POLYMER COMPOUND FUJIFILM CORP (JP) 2020-06-10 EP disclosed
US-20050181301-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-08-18 US disclosed
US-20050153242-A1 Aluminum support for planographic printing plate, its manufacturing process, and planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC. INC. (JP) 2005-07-14 US disclosed
US-20050053866-A1 Image fornming layer containing colorant, photoinitiator and unsaturated compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2005-03-10 US disclosed
EP-1508836-A2 Planographic printing plate material and planographic printing plate preparing process Konica Minolta Medical & Graphic, Inc. (JP) 2005-02-23 EP disclosed
US-20050037286-A1 Light sensitive composition, planographic printing plate material, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2005-02-17 US disclosed
US-20040191691-A1 Light sensitive composition and light sensitive planographic printing plate material KONICA MINOLTA HOLDINGS, INC. (JP) 2004-09-30 US disclosed
US-20040157153-A1 Image formation method of planographic printing plate material KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-12 US disclosed
EP-1445655-A1 Image formation method on planographic printing plate precursor KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-11 EP disclosed
EP-1445653-A1 Light sensitive composition and light sensitive planographic printing plate material KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-11 EP disclosed
US-4465713-A HIGH GLOSS, NONYELLOWING THE DOW CHEMICAL COMPANY (US) 1984-08-14 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 (6 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR MAPK1 2899/4885ESR1 787/4885ESR2 729/4885
US-10765112-B2 Pesticidal microcapsules with a shell made of tetramethylxylylene diisocyanate, cycloaliphatic diisocyanate, and aliphatic diamine DDT, CDIPT, DDC MAPK1 3748/4885ESR1 4884/4885ESR2 4873/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 MAPK1 3078/4885ESR1 485/4885ESR2 784/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 MAPK1 143/4885ESR1 4321/4885ESR2 4688/4885
US-11089780-B2 Pendimethanlin microcapsules with a shell made of tetramethylxylylene diisocyanate and a polyamine with at least three amine groups SRM, PNMT, UROD MAPK1 3904/4885ESR1 4876/4885ESR2 4843/4885
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT CARM1, KDM2B, UFM1 MAPK1 4176/4885ESR1 1395/4885ESR2 2008/4885

“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.