SCHEMBL4444463

SCHEMBL4444463

COc1ccccc1Pc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 2/20 0.50
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
TRPA1 O75762 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30810811 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
Ethane SCHEMBL27774044 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28379424 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL2154353 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
Lithium SCHEMBL30810804 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL4888931 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL49810 0.86 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL29591833 0.86 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL4349591 0.86 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL28045166 0.86 CA1 (0.44) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527639-A1 A METHOD FOR BONDING A THERMOPLASTIC MATERIAL BY MICROWAVE-IRRADIATION proionic GmbH (AT) 2019-08-21 EP claimed
CN-105392563-A Water-insoluble ruthenium catalyst composition for use in aqueous hydrogenation reactions DEXLECHEM GMBH 2016-03-09 CN claimed
US-20040133042-A1 Diphosphines BROWN JOHN MICHAEL (GB) 2004-07-08 US claimed
EP-1124833-B1 DIPHOSPHINES ISIS INNOVATION (GB) 2003-01-08 EP claimed
EP-1124833-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2001-08-22 EP claimed
WO-2000026220-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2000-05-11 WO claimed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN disclosed
EP-3527639-B1 A METHOD FOR BONDING A THERMOPLASTIC MATERIAL BY MICROWAVE-IRRADIATION PROIONIC GMBH (AT) 2021-09-08 EP disclosed
WO-2021146391-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C–P BONDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-22 WO disclosed
EP-3527639-A1 A METHOD FOR BONDING A THERMOPLASTIC MATERIAL BY MICROWAVE-IRRADIATION proionic GmbH (AT) 2019-08-21 EP disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
CN-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
US-5688909-A Catalyst composition and process for the preparation of copolymers of carbon monoxide and an olefinically unsaturated compound SHELL OIL COMPANY (US) 1997-11-18 US disclosed
US-5563309-A Ferrocenyl diphosphines as ligands for homogeneous catalysts CIBA-GEIGY CORPORATION (US) 1996-10-08 US disclosed
US-5488132-A Process for making optically active alpha-amino ketones and selected novel optically active alpha-amino ketones MONSANTO COMPANY (US) 1996-01-30 US disclosed
US-5463097-A Ferrocenyl diphosphines as ligands for homogeneous catalysts CIBA-GEIGY CORPORATION (US) 1995-10-31 US disclosed
US-5371256-A With rhodium and iridium CIBA-GEIGY CORPORATION (US) 1994-12-06 US disclosed
EP-0564406-A1 Ferrocenyldiphosphine as ligands for homogeneous catalysts CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed
US-5223640-A Regioselectively silylcarbonylating arylacetylene, oxidizing, desilylating, hydrogenating HOECHST CELANESE CORPORATION (US) 1993-06-29 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 (1 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-20040133042-A1 Diphosphines SIGMAR1, SSR4, LBR CA1 3498/4885CA2 1516/4885CA7 3142/4885

“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.